N E dE d eps ncg rms rms(c) DAV: 1 0.114638921390E+05 0.11464E+05 -0.58657E+05 2816 0.170E+03 DAV: 2 0.127182880171E+03 -0.11337E+05 -0.11003E+05 3776 0.375E+02 DAV: 3 -0.145698668480E+04 -0.15842E+04 -0.15776E+04 3392 0.141E+02 DAV: 4 -0.150118970655E+04 -0.44203E+02 -0.44030E+02 3456 0.261E+01 DAV: 5 -0.150408224974E+04 -0.28925E+01 -0.28911E+01 4864 0.450E+00 0.179E+02 DAV: 6 -0.132101541808E+04 0.18307E+03 -0.71018E+02 3520 0.335E+01 0.111E+02 DAV: 7 -0.136152255252E+04 -0.40507E+02 -0.74412E+02 3520 0.183E+01 0.357E+01 DAV: 8 -0.132126996936E+04 0.40253E+02 -0.87852E+01 4064 0.168E+01 0.159E+01 DAV: 9 -0.133103026123E+04 -0.97603E+01 -0.29895E+02 3392 0.681E+00 0.253E+01 DAV: 10 -0.132985499672E+04 0.11753E+01 -0.25415E+02 3584 0.577E+00 0.128E+01 DAV: 11 -0.132288187645E+04 0.69731E+01 -0.23094E+01 3296 0.354E+00 0.140E+01 DAV: 12 -0.132293006484E+04 -0.48188E-01 -0.21980E+01 3552 0.141E+00 0.103E+01 DAV: 13 -0.132215287110E+04 0.77719E+00 -0.10611E+01 3808 0.164E+00 0.137E+01 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0.127E-01 0.177E+00 DAV: 27 -0.132003985411E+04 0.45179E-02 -0.93663E-02 3328 0.839E-02 0.782E-01 DAV: 28 -0.132004734149E+04 -0.74874E-02 -0.46923E-02 3232 0.883E-02 0.887E-01 DAV: 29 -0.132004747003E+04 -0.12854E-03 -0.87351E-02 3232 0.940E-02 0.171E+00 DAV: 30 -0.132004239716E+04 0.50729E-02 -0.32860E-02 3200 0.574E-02 0.686E-01 DAV: 31 -0.132004186871E+04 0.52845E-03 -0.62814E-03 2880 0.362E-02 0.474E-01 DAV: 32 -0.132004223498E+04 -0.36627E-03 -0.10508E-02 2752 0.284E-02 0.421E-01 DAV: 33 -0.132004282062E+04 -0.58564E-03 -0.14413E-02 2816 0.473E-02 0.459E-01 DAV: 34 -0.132004275345E+04 0.67166E-04 -0.17635E-03 2656 0.211E-02 0.276E-01 DAV: 35 -0.132004272325E+04 0.30201E-04 -0.15562E-03 2304 0.127E-02 0.133E-01 DAV: 36 -0.132004285139E+04 -0.12814E-03 -0.66744E-04 2144 0.141E-02 0.630E-02 DAV: 37 -0.132004300699E+04 -0.15560E-03 -0.31990E-04 2272 0.866E-03 0.112E-01 DAV: 38 -0.132004299239E+04 0.14595E-04 -0.28219E-04 2112 0.535E-03 1 F= -.13421116E+04 E0= -.13420555E+04 d E =-.134211E+04 N E dE d eps ncg rms rms(c) DAV: 1 -0.131662359635E+04 0.34194E+01 -0.58699E+02 2816 0.322E+01 0.290E+01 DAV: 2 -0.132686498680E+04 -0.10241E+02 -0.18396E+02 3744 0.861E+00 0.242E+01 DAV: 3 -0.132825172195E+04 -0.13867E+01 -0.27740E+02 3776 0.670E+00 0.146E+01 DAV: 4 -0.132537638846E+04 0.28753E+01 -0.12076E+02 3520 0.642E+00 0.262E+01 DAV: 5 -0.132169381494E+04 0.36826E+01 -0.15200E+02 3328 0.379E+00 0.116E+01 DAV: 6 -0.131953020196E+04 0.21636E+01 -0.10905E+01 3264 0.167E+00 0.102E+01 DAV: 7 -0.131908006412E+04 0.45014E+00 -0.15671E+01 3488 0.967E-01 0.917E+00 DAV: 8 -0.131818863315E+04 0.89143E+00 -0.92855E-01 3712 0.822E-01 0.625E+00 DAV: 9 -0.131799745502E+04 0.19118E+00 -0.34525E+00 3680 0.779E-01 0.830E+00 DAV: 10 -0.131774614099E+04 0.25131E+00 -0.42789E+00 3520 0.612E-01 0.569E+00 DAV: 11 -0.131782591455E+04 -0.79774E-01 -0.32412E+00 3392 0.413E-01 0.823E+00 DAV: 12 -0.131829281451E+04 -0.46690E+00 -0.13035E+01 3808 0.910E-01 0.843E+00 DAV: 13 -0.131772850793E+04 0.56431E+00 -0.35504E+00 3552 0.663E-01 0.609E+00 DAV: 14 -0.131763271958E+04 0.95788E-01 -0.17742E+00 3616 0.461E-01 0.394E+00 DAV: 15 -0.131760949279E+04 0.23227E-01 -0.34752E-01 3488 0.235E-01 0.309E+00 DAV: 16 -0.131760443812E+04 0.50547E-02 -0.19602E-01 3328 0.161E-01 0.421E+00 DAV: 17 -0.131757639706E+04 0.28041E-01 -0.21208E-01 3264 0.959E-02 0.207E+00 DAV: 18 -0.131758552086E+04 -0.91238E-02 -0.18362E-01 3360 0.999E-02 0.343E+00 DAV: 19 -0.131755137613E+04 0.34145E-01 -0.11015E-01 3328 0.113E-01 0.127E+00 DAV: 20 -0.131754516233E+04 0.62138E-02 -0.60997E-02 3296 0.105E-01 0.119E+00 DAV: 21 -0.131753878974E+04 0.63726E-02 -0.98186E-02 3264 0.109E-01 0.861E-01 DAV: 22 -0.131754110090E+04 -0.23112E-02 -0.84570E-02 3328 0.830E-02 0.122E+00 DAV: 23 -0.131753609960E+04 0.50013E-02 -0.15602E-02 2784 0.418E-02 0.498E-01 DAV: 24 -0.131753653571E+04 -0.43610E-03 -0.21415E-02 2976 0.361E-02 0.555E-01 DAV: 25 -0.131753587493E+04 0.66077E-03 -0.11042E-02 2720 0.345E-02 0.258E-01 DAV: 26 -0.131753607028E+04 -0.19535E-03 -0.38580E-03 2624 0.236E-02 0.251E-01 DAV: 27 -0.131753575519E+04 0.31509E-03 -0.35991E-04 2144 0.155E-02 0.107E-01 DAV: 28 -0.131753580574E+04 -0.50552E-04 -0.47743E-04 2208 0.765E-03 2 F= -.13396057E+04 E0= -.13395386E+04 d E =0.250598E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132005793974E+04 -0.25222E+01 -0.28727E+02 2848 0.225E+01 0.192E+01 DAV: 2 -0.132280607730E+04 -0.27481E+01 -0.43318E+01 3520 0.510E+00 0.142E+01 DAV: 3 -0.132355566830E+04 -0.74959E+00 -0.92060E+01 3584 0.315E+00 0.129E+01 DAV: 4 -0.132389838522E+04 -0.34272E+00 -0.57891E+01 3552 0.286E+00 0.967E+00 DAV: 5 -0.132208364550E+04 0.18147E+01 -0.33298E+01 3360 0.237E+00 0.146E+01 DAV: 6 -0.132147200807E+04 0.61164E+00 -0.15141E+01 3360 0.941E-01 0.113E+01 DAV: 7 -0.132106763579E+04 0.40437E+00 -0.51767E+00 3552 0.745E-01 0.628E+00 DAV: 8 -0.132093875688E+04 0.12888E+00 -0.52525E+00 3424 0.100E+00 0.899E+00 DAV: 9 -0.132131086125E+04 -0.37210E+00 -0.81848E+00 3648 0.691E-01 0.141E+01 DAV: 10 -0.132092681156E+04 0.38405E+00 -0.19580E+01 3264 0.465E-01 0.657E+00 DAV: 11 -0.132083132407E+04 0.95487E-01 -0.83594E+00 3328 0.598E-01 0.425E+00 DAV: 12 -0.132077000839E+04 0.61316E-01 -0.86003E-01 3488 0.395E-01 0.438E+00 DAV: 13 -0.132064096115E+04 0.12905E+00 -0.57541E-01 3616 0.282E-01 0.227E+00 DAV: 14 -0.132061490560E+04 0.26056E-01 -0.35351E-01 3296 0.210E-01 0.171E+00 DAV: 15 -0.132060093382E+04 0.13972E-01 -0.67009E-02 3456 0.128E-01 0.122E+00 DAV: 16 -0.132059767136E+04 0.32625E-02 -0.88892E-02 3136 0.107E-01 0.121E+00 DAV: 17 -0.132059065344E+04 0.70179E-02 -0.26014E-02 3296 0.717E-02 0.576E-01 DAV: 18 -0.132058902835E+04 0.16251E-02 -0.70445E-03 2912 0.394E-02 0.323E-01 DAV: 19 -0.132058892315E+04 0.10520E-03 -0.70999E-03 3040 0.326E-02 0.544E-01 DAV: 20 -0.132058755529E+04 0.13679E-02 -0.89713E-03 3008 0.307E-02 0.170E-01 DAV: 21 -0.132058770468E+04 -0.14938E-03 -0.43510E-03 2560 0.167E-02 0.255E-01 DAV: 22 -0.132058731235E+04 0.39233E-03 -0.18227E-03 2368 0.155E-02 0.959E-02 DAV: 23 -0.132058728495E+04 0.27399E-04 -0.62757E-04 2496 0.103E-02 3 F= -.13426571E+04 E0= -.13425996E+04 d E =-.545446E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132095207420E+04 -0.36476E+00 -0.10504E+02 2816 0.136E+01 0.701E+00 DAV: 2 -0.132259517222E+04 -0.16431E+01 -0.18024E+01 3680 0.295E+00 0.141E+01 DAV: 3 -0.132250209268E+04 0.93080E-01 -0.38853E+01 3680 0.148E+00 0.120E+01 DAV: 4 -0.132223633839E+04 0.26575E+00 -0.18305E+01 3520 0.119E+00 0.116E+01 DAV: 5 -0.132160379067E+04 0.63255E+00 -0.16182E+01 3296 0.840E-01 0.874E+00 DAV: 6 -0.132156754496E+04 0.36246E-01 -0.69040E+00 3360 0.613E-01 0.844E+00 DAV: 7 -0.132131099474E+04 0.25655E+00 -0.38234E+00 3360 0.503E-01 0.355E+00 DAV: 8 -0.132123742670E+04 0.73568E-01 -0.35669E+00 3200 0.615E-01 0.236E+00 DAV: 9 -0.132123585656E+04 0.15701E-02 -0.33355E-01 3360 0.295E-01 0.303E+00 DAV: 10 -0.132122073093E+04 0.15126E-01 -0.18576E-01 3680 0.193E-01 0.253E+00 DAV: 11 -0.132121635925E+04 0.43717E-02 -0.56741E-01 3552 0.236E-01 0.360E+00 DAV: 12 -0.132120648800E+04 0.98713E-02 -0.37938E-01 3392 0.173E-01 0.273E+00 DAV: 13 -0.132117885022E+04 0.27638E-01 -0.20201E-01 3168 0.111E-01 0.965E-01 DAV: 14 -0.132117612883E+04 0.27214E-02 -0.36973E-02 3168 0.794E-02 0.769E-01 DAV: 15 -0.132117411634E+04 0.20125E-02 -0.33982E-02 3200 0.590E-02 0.673E-01 DAV: 16 -0.132117278510E+04 0.13312E-02 -0.12429E-02 3040 0.317E-02 0.361E-01 DAV: 17 -0.132117260531E+04 0.17980E-03 -0.73918E-03 3008 0.281E-02 0.240E-01 DAV: 18 -0.132117252106E+04 0.84248E-04 -0.56033E-03 2688 0.313E-02 0.193E-01 DAV: 19 -0.132117227545E+04 0.24561E-03 -0.11186E-03 2368 0.190E-02 0.116E-01 DAV: 20 -0.132117227732E+04 -0.18709E-05 -0.24664E-04 2144 0.105E-02 4 F= -.13432482E+04 E0= -.13431885E+04 d E =-.591062E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132118067743E+04 -0.84020E-02 -0.37447E+00 2816 0.256E+00 0.135E+00 DAV: 2 -0.132132780075E+04 -0.14712E+00 -0.14627E+00 3520 0.606E-01 0.679E+00 DAV: 3 -0.132126478143E+04 0.63019E-01 -0.27786E+00 3712 0.308E-01 0.561E+00 DAV: 4 -0.132123109882E+04 0.33683E-01 -0.14332E+00 3648 0.272E-01 0.368E+00 DAV: 5 -0.132121314453E+04 0.17954E-01 -0.10997E+00 3360 0.215E-01 0.213E+00 DAV: 6 -0.132119220956E+04 0.20935E-01 -0.22034E-01 3456 0.150E-01 0.904E-01 DAV: 7 -0.132119178068E+04 0.42888E-03 -0.92687E-02 3488 0.123E-01 0.652E-01 DAV: 8 -0.132119286345E+04 -0.10828E-02 -0.72075E-02 3008 0.113E-01 0.689E-01 DAV: 9 -0.132118847036E+04 0.43931E-02 -0.51275E-02 3104 0.742E-02 0.297E-01 DAV: 10 -0.132118818153E+04 0.28883E-03 -0.85784E-03 2944 0.356E-02 0.229E-01 DAV: 11 -0.132118845321E+04 -0.27168E-03 -0.81701E-03 2784 0.238E-02 0.290E-01 DAV: 12 -0.132118796144E+04 0.49177E-03 -0.53433E-03 2592 0.185E-02 0.818E-02 DAV: 13 -0.132118793761E+04 0.23836E-04 -0.46303E-04 2336 0.115E-02 5 F= -.13432639E+04 E0= -.13432033E+04 d E =-.606771E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132149061668E+04 -0.30266E+00 -0.21991E+01 2816 0.605E+00 0.256E+00 DAV: 2 -0.132175217680E+04 -0.26156E+00 -0.34145E+00 3552 0.131E+00 0.673E+00 DAV: 3 -0.132180699881E+04 -0.54822E-01 -0.63561E+00 3776 0.622E-01 0.875E+00 DAV: 4 -0.132169196666E+04 0.11503E+00 -0.46793E+00 3456 0.411E-01 0.706E+00 DAV: 5 -0.132158336514E+04 0.10860E+00 -0.19654E+00 3712 0.457E-01 0.346E+00 DAV: 6 -0.132157394704E+04 0.94181E-02 -0.17431E+00 3232 0.363E-01 0.179E+00 DAV: 7 -0.132153937005E+04 0.34577E-01 -0.65538E-02 3360 0.194E-01 0.133E+00 DAV: 8 -0.132153136990E+04 0.80001E-02 -0.53432E-02 3360 0.122E-01 0.100E+00 DAV: 9 -0.132152726707E+04 0.41028E-02 -0.38636E-02 3456 0.789E-02 0.443E-01 DAV: 10 -0.132152915653E+04 -0.18895E-02 -0.32583E-02 3200 0.746E-02 0.527E-01 DAV: 11 -0.132152813970E+04 0.10168E-02 -0.35888E-02 3200 0.749E-02 0.289E-01 DAV: 12 -0.132152806287E+04 0.76827E-04 -0.26700E-02 2752 0.647E-02 0.337E-01 DAV: 13 -0.132152706827E+04 0.99460E-03 -0.74641E-03 2848 0.340E-02 0.262E-01 DAV: 14 -0.132152688112E+04 0.18716E-03 -0.28045E-03 2624 0.160E-02 0.174E-01 DAV: 15 -0.132152677525E+04 0.10587E-03 -0.12511E-03 2240 0.132E-02 0.846E-02 DAV: 16 -0.132152677285E+04 0.23960E-05 -0.35573E-04 2176 0.947E-03 6 F= -.13436042E+04 E0= -.13435451E+04 d E =-.340353E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132165226171E+04 -0.12549E+00 -0.96046E+01 2816 0.127E+01 0.512E+00 DAV: 2 -0.132242296657E+04 -0.77070E+00 -0.11224E+01 3456 0.265E+00 0.947E+00 DAV: 3 -0.132241455057E+04 0.84160E-02 -0.23328E+01 3840 0.160E+00 0.962E+00 DAV: 4 -0.132237942209E+04 0.35128E-01 -0.11528E+01 3520 0.799E-01 0.970E+00 DAV: 5 -0.132196797128E+04 0.41145E+00 -0.37002E+00 3648 0.651E-01 0.472E+00 DAV: 6 -0.132191485973E+04 0.53112E-01 -0.19558E+00 3616 0.498E-01 0.333E+00 DAV: 7 -0.132185989307E+04 0.54967E-01 -0.45358E-01 3200 0.318E-01 0.181E+00 DAV: 8 -0.132184703979E+04 0.12853E-01 -0.59791E-01 3200 0.296E-01 0.229E+00 DAV: 9 -0.132182091930E+04 0.26120E-01 -0.13750E-01 3264 0.178E-01 0.132E+00 DAV: 10 -0.132181829505E+04 0.26242E-02 -0.11084E-01 3424 0.138E-01 0.156E+00 DAV: 11 -0.132183827460E+04 -0.19980E-01 -0.27742E-01 3488 0.160E-01 0.230E+00 DAV: 12 -0.132181926046E+04 0.19014E-01 -0.17089E-01 3200 0.950E-02 0.124E+00 DAV: 13 -0.132181294906E+04 0.63114E-02 -0.76879E-02 3424 0.108E-01 0.679E-01 DAV: 14 -0.132181245683E+04 0.49223E-03 -0.10528E-02 2912 0.451E-02 0.554E-01 DAV: 15 -0.132181141924E+04 0.10376E-02 -0.79987E-03 2848 0.268E-02 0.265E-01 DAV: 16 -0.132181133236E+04 0.86881E-04 -0.26953E-03 2720 0.215E-02 0.919E-02 DAV: 17 -0.132181138523E+04 -0.52873E-04 -0.45656E-04 2336 0.186E-02 7 F= -.13438844E+04 E0= -.13438310E+04 d E =-.620549E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132195795378E+04 -0.14662E+00 -0.14268E+01 2816 0.482E+00 0.309E+00 DAV: 2 -0.132359997792E+04 -0.16420E+01 -0.19496E+01 3648 0.161E+00 0.126E+01 DAV: 3 -0.132204982033E+04 0.15502E+01 -0.67644E+00 3968 0.938E-01 0.488E+00 DAV: 4 -0.132202911823E+04 0.20702E-01 -0.31592E+00 3424 0.365E-01 0.249E+00 DAV: 5 -0.132218528769E+04 -0.15617E+00 -0.21626E+00 3520 0.527E-01 0.374E+00 DAV: 6 -0.132201863387E+04 0.16665E+00 -0.21614E+00 3200 0.494E-01 0.235E+00 DAV: 7 -0.132199444228E+04 0.24192E-01 -0.38050E-01 3264 0.227E-01 0.174E+00 DAV: 8 -0.132199085722E+04 0.35851E-02 -0.14300E-01 3296 0.144E-01 0.161E+00 DAV: 9 -0.132197982011E+04 0.11037E-01 -0.85065E-02 3264 0.105E-01 0.728E-01 DAV: 10 -0.132197869207E+04 0.11280E-02 -0.39765E-02 3264 0.719E-02 0.711E-01 DAV: 11 -0.132197762540E+04 0.10667E-02 -0.17668E-02 3104 0.502E-02 0.476E-01 DAV: 12 -0.132197701878E+04 0.60662E-03 -0.13201E-02 3040 0.371E-02 0.249E-01 DAV: 13 -0.132197725255E+04 -0.23377E-03 -0.93710E-03 2880 0.244E-02 0.256E-01 DAV: 14 -0.132197684761E+04 0.40494E-03 -0.44895E-03 2496 0.202E-02 0.735E-02 DAV: 15 -0.132197681996E+04 0.27656E-04 -0.30959E-04 2368 0.112E-02 8 F= -.13440392E+04 E0= -.13439868E+04 d E =-.154834E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132202052472E+04 -0.43677E-01 -0.12054E+01 2816 0.443E+00 0.272E+00 DAV: 2 -0.132338294380E+04 -0.13624E+01 -0.15850E+01 3552 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-0.24973E-04 2240 0.834E-03 9 F= -.13440881E+04 E0= -.13440363E+04 d E =-.203679E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132220021214E+04 -0.16369E+00 -0.19672E+01 2816 0.552E+00 0.236E+00 DAV: 2 -0.132267083558E+04 -0.47062E+00 -0.60864E+00 3424 0.138E+00 0.816E+00 DAV: 3 -0.132263155229E+04 0.39283E-01 -0.87394E+00 3968 0.726E-01 0.939E+00 DAV: 4 -0.132228000436E+04 0.35155E+00 -0.28564E+00 3424 0.546E-01 0.434E+00 DAV: 5 -0.132228549823E+04 -0.54939E-02 -0.25123E+00 3392 0.309E-01 0.232E+00 DAV: 6 -0.132225683943E+04 0.28659E-01 -0.41625E-01 3264 0.266E-01 0.173E+00 DAV: 7 -0.132224453869E+04 0.12301E-01 -0.12979E-01 3648 0.158E-01 0.147E+00 DAV: 8 -0.132223705522E+04 0.74835E-02 -0.31047E-02 3360 0.103E-01 0.806E-01 DAV: 9 -0.132223563761E+04 0.14176E-02 -0.52482E-02 3392 0.109E-01 0.897E-01 DAV: 10 -0.132223456203E+04 0.10756E-02 -0.65072E-02 3296 0.113E-01 0.586E-01 DAV: 11 -0.132223075259E+04 0.38094E-02 -0.86981E-03 2880 0.748E-02 0.446E-01 DAV: 12 -0.132223072722E+04 0.25377E-04 -0.91583E-03 3168 0.381E-02 0.346E-01 DAV: 13 -0.132223056524E+04 0.16198E-03 -0.10803E-02 2720 0.257E-02 0.305E-01 DAV: 14 -0.132223011914E+04 0.44610E-03 -0.21697E-03 2400 0.200E-02 0.121E-01 DAV: 15 -0.132223014247E+04 -0.23329E-04 -0.42473E-04 2432 0.143E-02 10 F= -.13442624E+04 E0= -.13442095E+04 d E =-.174356E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132221088284E+04 0.19236E-01 -0.12123E+02 2816 0.137E+01 0.586E+00 DAV: 2 -0.132427444042E+04 -0.20636E+01 -0.26658E+01 3552 0.308E+00 0.167E+01 DAV: 3 -0.132328682433E+04 0.98762E+00 -0.44230E+01 3936 0.168E+00 0.107E+01 DAV: 4 -0.132304898628E+04 0.23784E+00 -0.11522E+01 3584 0.104E+00 0.859E+00 DAV: 5 -0.132265541882E+04 0.39357E+00 -0.12325E+01 3424 0.884E-01 0.695E+00 DAV: 6 -0.132265498315E+04 0.43566E-03 -0.47342E+00 3328 0.587E-01 0.442E+00 DAV: 7 -0.132249677959E+04 0.15820E+00 -0.11835E+00 3424 0.454E-01 0.262E+00 DAV: 8 -0.132246923622E+04 0.27543E-01 -0.68338E-01 3424 0.362E-01 0.243E+00 DAV: 9 -0.132245992992E+04 0.93063E-02 -0.67936E-01 3264 0.236E-01 0.366E+00 DAV: 10 -0.132243518893E+04 0.24741E-01 -0.31085E-02 3456 0.108E-01 0.232E+00 DAV: 11 -0.132241702533E+04 0.18164E-01 -0.18678E-01 3424 0.198E-01 0.919E-01 DAV: 12 -0.132241805789E+04 -0.10326E-02 -0.13961E-01 3424 0.170E-01 0.150E+00 DAV: 13 -0.132240985057E+04 0.82073E-02 -0.55422E-02 3456 0.111E-01 0.732E-01 DAV: 14 -0.132240879069E+04 0.10599E-02 -0.14517E-02 3264 0.610E-02 0.399E-01 DAV: 15 -0.132240847999E+04 0.31071E-03 -0.84867E-03 3296 0.389E-02 0.221E-01 DAV: 16 -0.132240828837E+04 0.19161E-03 -0.31265E-03 2944 0.272E-02 0.132E-01 DAV: 17 -0.132240837774E+04 -0.89367E-04 -0.25920E-03 2560 0.209E-02 0.211E-01 DAV: 18 -0.132240823833E+04 0.13941E-03 -0.44364E-04 2176 0.166E-02 0.100E-01 DAV: 19 -0.132240821043E+04 0.27898E-04 -0.42235E-04 2208 0.102E-02 11 F= -.13443861E+04 E0= -.13443300E+04 d E =-.298038E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132239724741E+04 0.10991E-01 -0.58305E+00 2816 0.301E+00 0.129E+00 DAV: 2 -0.132258276308E+04 -0.18552E+00 -0.22222E+00 3488 0.752E-01 0.529E+00 DAV: 3 -0.132246304527E+04 0.11972E+00 -0.20709E+00 3712 0.391E-01 0.393E+00 DAV: 4 -0.132245670183E+04 0.63434E-02 -0.12630E+00 3392 0.273E-01 0.413E+00 DAV: 5 -0.132242373487E+04 0.32967E-01 -0.57711E-01 3680 0.218E-01 0.129E+00 DAV: 6 -0.132241311785E+04 0.10617E-01 -0.28662E-01 3552 0.203E-01 0.752E-01 DAV: 7 -0.132240792981E+04 0.51880E-02 -0.15339E-02 3200 0.102E-01 0.525E-01 DAV: 8 -0.132240954939E+04 -0.16196E-02 -0.26924E-02 3200 0.784E-02 0.626E-01 DAV: 9 -0.132240690774E+04 0.26417E-02 -0.22820E-02 3200 0.668E-02 0.297E-01 DAV: 10 -0.132240687064E+04 0.37093E-04 -0.57948E-03 3040 0.326E-02 0.202E-01 DAV: 11 -0.132240651257E+04 0.35807E-03 -0.28932E-03 2848 0.243E-02 0.145E-01 DAV: 12 -0.132240644447E+04 0.68109E-04 -0.76270E-04 2400 0.130E-02 12 F= -.13443971E+04 E0= -.13443416E+04 d E =-.308980E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132252007788E+04 -0.11357E+00 -0.20156E+01 2816 0.562E+00 0.233E+00 DAV: 2 -0.132344248988E+04 -0.92241E+00 -0.10705E+01 3520 0.142E+00 0.106E+01 DAV: 3 -0.132261074480E+04 0.83175E+00 -0.45571E+00 3776 0.671E-01 0.320E+00 DAV: 4 -0.132261729286E+04 -0.65481E-02 -0.23481E+00 3232 0.515E-01 0.163E+00 DAV: 5 -0.132257837415E+04 0.38919E-01 -0.23224E-01 3296 0.307E-01 0.199E+00 DAV: 6 -0.132256077136E+04 0.17603E-01 -0.17000E-01 3744 0.160E-01 0.105E+00 DAV: 7 -0.132257456607E+04 -0.13795E-01 -0.22782E-01 3200 0.154E-01 0.161E+00 DAV: 8 -0.132255824902E+04 0.16317E-01 -0.14239E-01 3264 0.147E-01 0.682E-01 DAV: 9 -0.132255852671E+04 -0.27769E-03 -0.80312E-02 3584 0.107E-01 0.709E-01 DAV: 10 -0.132255690964E+04 0.16171E-02 -0.42542E-02 3328 0.672E-02 0.732E-01 DAV: 11 -0.132255505007E+04 0.18596E-02 -0.16927E-02 2912 0.411E-02 0.340E-01 DAV: 12 -0.132255477951E+04 0.27055E-03 -0.58503E-03 2720 0.258E-02 0.173E-01 DAV: 13 -0.132255476289E+04 0.16628E-04 -0.22980E-03 2688 0.174E-02 0.109E-01 DAV: 14 -0.132255472185E+04 0.41038E-04 -0.97980E-04 2304 0.114E-02 13 F= -.13445283E+04 E0= -.13444729E+04 d E =-.131245E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132257307917E+04 -0.18316E-01 -0.54266E+01 2816 0.922E+00 0.385E+00 DAV: 2 -0.132466361196E+04 -0.20905E+01 -0.25146E+01 3584 0.232E+00 0.161E+01 DAV: 3 -0.132293701727E+04 0.17266E+01 -0.25150E+01 3616 0.128E+00 0.806E+00 DAV: 4 -0.132280269863E+04 0.13432E+00 -0.70295E+00 3328 0.521E-01 0.427E+00 DAV: 5 -0.132277326725E+04 0.29431E-01 -0.16838E+00 3488 0.463E-01 0.348E+00 DAV: 6 -0.132272707556E+04 0.46192E-01 -0.12528E+00 3424 0.484E-01 0.313E+00 DAV: 7 -0.132271541693E+04 0.11659E-01 -0.13653E+00 3424 0.404E-01 0.272E+00 DAV: 8 -0.132268986843E+04 0.25548E-01 -0.20641E-01 3264 0.231E-01 0.194E+00 DAV: 9 -0.132269360671E+04 -0.37383E-02 -0.37612E-01 3616 0.247E-01 0.269E+00 DAV: 10 -0.132267431193E+04 0.19295E-01 -0.11217E-01 3328 0.149E-01 0.169E+00 DAV: 11 -0.132267154990E+04 0.27620E-02 -0.20998E-02 3040 0.729E-02 0.134E+00 DAV: 12 -0.132266926394E+04 0.22860E-02 -0.10043E-02 3040 0.499E-02 0.816E-01 DAV: 13 -0.132266831170E+04 0.95224E-03 -0.13936E-02 2944 0.457E-02 0.301E-01 DAV: 14 -0.132266858244E+04 -0.27074E-03 -0.11634E-02 3040 0.341E-02 0.275E-01 DAV: 15 -0.132266799284E+04 0.58960E-03 -0.69613E-03 2752 0.260E-02 0.205E-01 DAV: 16 -0.132266793544E+04 0.57396E-04 -0.29329E-04 2432 0.124E-02 14 F= -.13446118E+04 E0= -.13445563E+04 d E =-.214763E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132274911683E+04 -0.81124E-01 -0.15070E+01 2816 0.482E+00 0.193E+00 DAV: 2 -0.132302765125E+04 -0.27853E+00 -0.31903E+00 3520 0.967E-01 0.734E+00 DAV: 3 -0.132287303014E+04 0.15462E+00 -0.43358E+00 3968 0.477E-01 0.584E+00 DAV: 4 -0.132283022752E+04 0.42803E-01 -0.19297E+00 3776 0.339E-01 0.380E+00 DAV: 5 -0.132279620739E+04 0.34020E-01 -0.47544E-01 3584 0.294E-01 0.199E+00 DAV: 6 -0.132280117616E+04 -0.49688E-02 -0.60152E-01 3680 0.255E-01 0.133E+00 DAV: 7 -0.132278011700E+04 0.21059E-01 -0.13290E-01 3360 0.165E-01 0.841E-01 DAV: 8 -0.132278027524E+04 -0.15823E-03 -0.61256E-02 3456 0.129E-01 0.769E-01 DAV: 9 -0.132277817943E+04 0.20958E-02 -0.57327E-02 3488 0.112E-01 0.675E-01 DAV: 10 -0.132277648201E+04 0.16974E-02 -0.14243E-02 3360 0.816E-02 0.370E-01 DAV: 11 -0.132277571328E+04 0.76873E-03 -0.50512E-03 3136 0.494E-02 0.154E-01 DAV: 12 -0.132277564291E+04 0.70373E-04 -0.36278E-03 2816 0.239E-02 0.135E-01 DAV: 13 -0.132277555204E+04 0.90866E-04 -0.16123E-03 2304 0.138E-02 0.867E-02 DAV: 14 -0.132277556520E+04 -0.13165E-04 -0.65202E-04 2400 0.911E-03 15 F= -.13447093E+04 E0= -.13446550E+04 d E =-.974792E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132278763792E+04 -0.12086E-01 -0.32995E+01 2816 0.713E+00 0.278E+00 DAV: 2 -0.132326905943E+04 -0.48142E+00 -0.56804E+00 3552 0.141E+00 0.825E+00 DAV: 3 -0.132303669578E+04 0.23236E+00 -0.70178E+00 4128 0.673E-01 0.708E+00 DAV: 4 -0.132295813273E+04 0.78563E-01 -0.33657E+00 3744 0.479E-01 0.538E+00 DAV: 5 -0.132287488329E+04 0.83249E-01 -0.88291E-01 3584 0.376E-01 0.237E+00 DAV: 6 -0.132287330228E+04 0.15810E-02 -0.53653E-01 3648 0.272E-01 0.177E+00 DAV: 7 -0.132285731792E+04 0.15984E-01 -0.33634E-01 3264 0.207E-01 0.154E+00 DAV: 8 -0.132285076117E+04 0.65567E-02 -0.90578E-02 3616 0.131E-01 0.830E-01 DAV: 9 -0.132285235544E+04 -0.15943E-02 -0.12143E-01 3424 0.110E-01 0.876E-01 DAV: 10 -0.132285039645E+04 0.19590E-02 -0.51899E-02 3136 0.110E-01 0.531E-01 DAV: 11 -0.132284703995E+04 0.33565E-02 -0.17627E-02 2944 0.719E-02 0.367E-01 DAV: 12 -0.132284649806E+04 0.54189E-03 -0.81662E-03 3168 0.355E-02 0.284E-01 DAV: 13 -0.132284634853E+04 0.14952E-03 -0.26620E-03 2944 0.257E-02 0.165E-01 DAV: 14 -0.132284623366E+04 0.11488E-03 -0.11296E-03 2784 0.174E-02 0.957E-02 DAV: 15 -0.132284622158E+04 0.12077E-04 -0.62844E-04 2272 0.119E-02 16 F= -.13447644E+04 E0= -.13447114E+04 d E =-.152616E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132292153480E+04 -0.75301E-01 -0.13341E+01 2816 0.443E+00 0.125E+00 DAV: 2 -0.132302088861E+04 -0.99354E-01 -0.88724E-01 3232 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=-.894862E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132289829643E+04 0.47351E-01 -0.12008E+02 2816 0.133E+01 0.376E+00 DAV: 2 -0.132366357359E+04 -0.76528E+00 -0.80899E+00 3328 0.221E+00 0.102E+01 DAV: 3 -0.132358830066E+04 0.75273E-01 -0.13723E+01 3776 0.851E-01 0.917E+00 DAV: 4 -0.132362364676E+04 -0.35346E-01 -0.92667E+00 3616 0.920E-01 0.987E+00 DAV: 5 -0.132330771131E+04 0.31594E+00 -0.60535E+00 3552 0.431E-01 0.503E+00 DAV: 6 -0.132322220805E+04 0.85503E-01 -0.12728E+00 3328 0.349E-01 0.170E+00 DAV: 7 -0.132315257108E+04 0.69637E-01 -0.12059E-01 3552 0.387E-01 0.951E-01 DAV: 8 -0.132313181980E+04 0.20751E-01 -0.15925E-01 3392 0.308E-01 0.150E+00 DAV: 9 -0.132315214293E+04 -0.20323E-01 -0.25849E-01 3552 0.243E-01 0.159E+00 DAV: 10 -0.132312399847E+04 0.28144E-01 -0.18707E-01 3456 0.189E-01 0.997E-01 DAV: 11 -0.132312151127E+04 0.24872E-02 -0.24329E-02 3552 0.985E-02 0.410E-01 DAV: 12 -0.132312080909E+04 0.70218E-03 -0.14054E-02 3296 0.675E-02 0.363E-01 DAV: 13 -0.132312042527E+04 0.38382E-03 -0.62652E-03 2976 0.429E-02 0.261E-01 DAV: 14 -0.132312013696E+04 0.28831E-03 -0.36841E-03 2720 0.329E-02 0.182E-01 DAV: 15 -0.132312000820E+04 0.12877E-03 -0.23633E-03 2688 0.188E-02 0.148E-01 DAV: 16 -0.132312004037E+04 -0.32179E-04 -0.32179E-04 2240 0.190E-02 18 F= -.13449978E+04 E0= -.13449453E+04 d E =-.233370E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132311910729E+04 0.90090E-03 -0.92407E+00 2816 0.368E+00 0.102E+00 DAV: 2 -0.132316852991E+04 -0.49423E-01 -0.45074E-01 3264 0.599E-01 0.200E+00 DAV: 3 -0.132318198255E+04 -0.13453E-01 -0.11703E+00 4032 0.312E-01 0.366E+00 DAV: 4 -0.132320106402E+04 -0.19081E-01 -0.94556E-01 3968 0.247E-01 0.363E+00 DAV: 5 -0.132315841860E+04 0.42645E-01 -0.33531E-01 3424 0.176E-01 0.108E+00 DAV: 6 -0.132313952047E+04 0.18898E-01 -0.48423E-02 3552 0.135E-01 0.498E-01 DAV: 7 -0.132313651596E+04 0.30045E-02 -0.28922E-02 3456 0.832E-02 0.365E-01 DAV: 8 -0.132314171371E+04 -0.51978E-02 -0.16910E-02 3456 0.961E-02 0.679E-01 DAV: 9 -0.132313638976E+04 0.53239E-02 -0.99823E-03 3296 0.630E-02 0.257E-01 DAV: 10 -0.132313583891E+04 0.55086E-03 -0.21708E-03 3040 0.332E-02 0.706E-02 DAV: 11 -0.132313588551E+04 -0.46598E-04 -0.87560E-04 2560 0.153E-02 19 F= -.13450050E+04 E0= -.13449537E+04 d E =-.240602E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132319366331E+04 -0.57824E-01 -0.38921E+01 2816 0.747E+00 0.260E+00 DAV: 2 -0.132370592804E+04 -0.51226E+00 -0.50443E+00 3456 0.135E+00 0.998E+00 DAV: 3 -0.132344563903E+04 0.26029E+00 -0.77136E+00 3904 0.592E-01 0.800E+00 DAV: 4 -0.132343035927E+04 0.15280E-01 -0.40374E+00 3584 0.508E-01 0.643E+00 DAV: 5 -0.132335279749E+04 0.77562E-01 -0.34141E+00 3392 0.309E-01 0.375E+00 DAV: 6 -0.132329449786E+04 0.58300E-01 -0.68870E-01 3328 0.278E-01 0.154E+00 DAV: 7 -0.132326306924E+04 0.31429E-01 -0.20461E-01 3648 0.281E-01 0.925E-01 DAV: 8 -0.132326605497E+04 -0.29857E-02 -0.80024E-02 3104 0.149E-01 0.824E-01 DAV: 9 -0.132326340837E+04 0.26466E-02 -0.55222E-02 3520 0.129E-01 0.724E-01 DAV: 10 -0.132326508316E+04 -0.16748E-02 -0.65958E-02 3200 0.116E-01 0.705E-01 DAV: 11 -0.132326012026E+04 0.49629E-02 -0.19693E-02 3200 0.728E-02 0.289E-01 DAV: 12 -0.132326002403E+04 0.96238E-04 -0.70468E-03 3264 0.399E-02 0.240E-01 DAV: 13 -0.132325963921E+04 0.38482E-03 -0.45853E-03 2912 0.254E-02 0.123E-01 DAV: 14 -0.132325961893E+04 0.20282E-04 -0.14066E-03 2656 0.158E-02 0.776E-02 DAV: 15 -0.132325960473E+04 0.14196E-04 -0.10025E-03 2368 0.107E-02 0.707E-02 DAV: 16 -0.132325958862E+04 0.16110E-04 -0.29529E-04 2048 0.838E-03 20 F= -.13451117E+04 E0= -.13450608E+04 d E =-.106691E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132326289898E+04 -0.32942E-02 -0.17387E+01 2816 0.499E+00 0.176E+00 DAV: 2 -0.132355215066E+04 -0.28925E+00 -0.28134E+00 3488 0.913E-01 0.878E+00 DAV: 3 -0.132336671593E+04 0.18543E+00 -0.44264E+00 3840 0.412E-01 0.561E+00 DAV: 4 -0.132336754759E+04 -0.83166E-03 -0.17000E+00 3744 0.330E-01 0.420E+00 DAV: 5 -0.132332793933E+04 0.39608E-01 -0.14807E+00 3360 0.218E-01 0.232E+00 DAV: 6 -0.132329862499E+04 0.29314E-01 -0.26285E-01 3392 0.200E-01 0.103E+00 DAV: 7 -0.132329400042E+04 0.46246E-02 -0.65028E-02 3584 0.129E-01 0.713E-01 DAV: 8 -0.132329608873E+04 -0.20883E-02 -0.48111E-02 2976 0.103E-01 0.537E-01 DAV: 9 -0.132329595546E+04 0.13327E-03 -0.40390E-02 3168 0.104E-01 0.641E-01 DAV: 10 -0.132329227032E+04 0.36851E-02 -0.54367E-03 3040 0.702E-02 0.199E-01 DAV: 11 -0.132329222912E+04 0.41200E-04 -0.31174E-03 2944 0.317E-02 0.174E-01 DAV: 12 -0.132329210956E+04 0.11956E-03 -0.22292E-03 2688 0.214E-02 0.959E-02 DAV: 13 -0.132329215094E+04 -0.41374E-04 -0.15704E-03 2560 0.118E-02 0.101E-01 DAV: 14 -0.132329207944E+04 0.71492E-04 -0.72277E-04 2144 0.924E-03 21 F= -.13451328E+04 E0= -.13450818E+04 d E =-.127703E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132334878542E+04 -0.56634E-01 -0.19799E+01 2816 0.523E+00 0.152E+00 DAV: 2 -0.132345959502E+04 -0.11081E+00 -0.12524E+00 3456 0.837E-01 0.492E+00 DAV: 3 -0.132347059971E+04 -0.11005E-01 -0.27190E+00 3680 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3424 0.167E+00 0.737E+00 DAV: 3 -0.132382759900E+04 -0.11733E+00 -0.93871E+00 3680 0.694E-01 0.904E+00 DAV: 4 -0.132357089992E+04 0.25670E+00 -0.30825E+00 3616 0.633E-01 0.290E+00 DAV: 5 -0.132352688376E+04 0.44016E-01 -0.12471E+00 3456 0.369E-01 0.197E+00 DAV: 6 -0.132349442237E+04 0.32461E-01 -0.25582E-01 3552 0.265E-01 0.203E+00 DAV: 7 -0.132346949841E+04 0.24924E-01 -0.31338E-01 3296 0.181E-01 0.902E-01 DAV: 8 -0.132349120058E+04 -0.21702E-01 -0.38551E-01 3392 0.258E-01 0.178E+00 DAV: 9 -0.132346240508E+04 0.28796E-01 -0.15177E-01 3360 0.177E-01 0.769E-01 DAV: 10 -0.132346511836E+04 -0.27133E-02 -0.21357E-02 3392 0.952E-02 0.919E-01 DAV: 11 -0.132346098340E+04 0.41350E-02 -0.32723E-02 3104 0.940E-02 0.327E-01 DAV: 12 -0.132345981638E+04 0.11670E-02 -0.59029E-03 2880 0.359E-02 0.241E-01 DAV: 13 -0.132345975657E+04 0.59814E-04 -0.59962E-03 3104 0.288E-02 0.252E-01 DAV: 14 -0.132345917318E+04 0.58339E-03 -0.27209E-03 2656 0.324E-02 0.136E-01 DAV: 15 -0.132345913713E+04 0.36044E-04 -0.75384E-04 2432 0.139E-02 23 F= -.13452832E+04 E0= -.13452345E+04 d E =-.150436E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132350485624E+04 -0.45683E-01 -0.10084E+01 2816 0.367E+00 0.111E+00 DAV: 2 -0.132368920826E+04 -0.18435E+00 -0.16920E+00 3392 0.664E-01 0.752E+00 DAV: 3 -0.132353298631E+04 0.15622E+00 -0.20296E+00 3872 0.308E-01 0.267E+00 DAV: 4 -0.132354909184E+04 -0.16106E-01 -0.59196E-01 3360 0.291E-01 0.130E+00 DAV: 5 -0.132353158099E+04 0.17511E-01 -0.12914E-01 3200 0.164E-01 0.819E-01 DAV: 6 -0.132352304757E+04 0.85334E-02 -0.34393E-02 3328 0.979E-02 0.416E-01 DAV: 7 -0.132352370177E+04 -0.65420E-03 -0.35630E-02 3008 0.767E-02 0.625E-01 DAV: 8 -0.132352203920E+04 0.16626E-02 -0.84104E-03 3136 0.580E-02 0.354E-01 DAV: 9 -0.132352334328E+04 -0.13041E-02 -0.63391E-03 3168 0.605E-02 0.402E-01 DAV: 10 -0.132352157024E+04 0.17730E-02 -0.31234E-03 2976 0.483E-02 0.198E-01 DAV: 11 -0.132352138822E+04 0.18202E-03 -0.18109E-03 2720 0.209E-02 0.478E-02 DAV: 12 -0.132352144349E+04 -0.55267E-04 -0.26222E-04 2464 0.122E-02 24 F= -.13453429E+04 E0= -.13452943E+04 d E =-.596941E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132347499546E+04 0.46393E-01 -0.90760E+01 2816 0.110E+01 0.331E+00 DAV: 2 -0.132464095670E+04 -0.11660E+01 -0.13100E+01 3456 0.198E+00 0.113E+01 DAV: 3 -0.132377372281E+04 0.86723E+00 -0.86462E+00 3840 0.857E-01 0.594E+00 DAV: 4 -0.132371756683E+04 0.56156E-01 -0.29866E+00 3456 0.595E-01 0.235E+00 DAV: 5 -0.132366166277E+04 0.55904E-01 -0.25256E-01 3488 0.358E-01 0.147E+00 DAV: 6 -0.132364464750E+04 0.17015E-01 -0.30777E-01 3360 0.237E-01 0.142E+00 DAV: 7 -0.132364337172E+04 0.12758E-02 -0.19642E-01 3488 0.169E-01 0.212E+00 DAV: 8 -0.132363698933E+04 0.63824E-02 -0.19555E-01 3392 0.185E-01 0.108E+00 DAV: 9 -0.132363561425E+04 0.13751E-02 -0.14806E-01 3296 0.165E-01 0.827E-01 DAV: 10 -0.132362946386E+04 0.61504E-02 -0.27530E-02 3424 0.106E-01 0.553E-01 DAV: 11 -0.132362946030E+04 0.35576E-05 -0.25496E-02 3264 0.735E-02 0.400E-01 DAV: 12 -0.132362866025E+04 0.80005E-03 -0.17075E-02 3200 0.410E-02 0.197E-01 DAV: 13 -0.132362841601E+04 0.24424E-03 -0.19326E-03 2560 0.203E-02 0.121E-01 DAV: 14 -0.132362836872E+04 0.47297E-04 -0.61965E-04 2592 0.159E-02 25 F= -.13454415E+04 E0= -.13453940E+04 d E =-.158345E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132361972695E+04 0.86891E-02 -0.11105E+01 2816 0.385E+00 0.119E+00 DAV: 2 -0.132386593839E+04 -0.24621E+00 -0.23238E+00 3456 0.717E-01 0.845E+00 DAV: 3 -0.132364619807E+04 0.21974E+00 -0.24442E+00 3648 0.340E-01 0.245E+00 DAV: 4 -0.132366211850E+04 -0.15920E-01 -0.46338E-01 3360 0.276E-01 0.118E+00 DAV: 5 -0.132364264014E+04 0.19478E-01 -0.49731E-02 3328 0.164E-01 0.562E-01 DAV: 6 -0.132363877083E+04 0.38693E-02 -0.25536E-02 3392 0.965E-02 0.450E-01 DAV: 7 -0.132364130081E+04 -0.25300E-02 -0.36326E-02 3200 0.691E-02 0.905E-01 DAV: 8 -0.132363990018E+04 0.14006E-02 -0.52177E-02 3104 0.857E-02 0.446E-01 DAV: 9 -0.132363823035E+04 0.16698E-02 -0.21156E-03 2880 0.482E-02 0.258E-01 DAV: 10 -0.132363811294E+04 0.11740E-03 -0.30014E-03 3008 0.301E-02 0.153E-01 DAV: 11 -0.132363792422E+04 0.18873E-03 -0.10570E-03 2816 0.236E-02 0.937E-02 DAV: 12 -0.132363792492E+04 -0.70700E-06 -0.71826E-04 2400 0.133E-02 26 F= -.13454481E+04 E0= -.13454007E+04 d E =-.164867E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132368247877E+04 -0.44555E-01 -0.14186E+01 2816 0.422E+00 0.141E+00 DAV: 2 -0.132390470241E+04 -0.22222E+00 -0.23263E+00 3424 0.789E-01 0.753E+00 DAV: 3 -0.132374400121E+04 0.16070E+00 -0.26863E+00 3648 0.341E-01 0.413E+00 DAV: 4 -0.132376402786E+04 -0.20027E-01 -0.14798E+00 3552 0.369E-01 0.343E+00 DAV: 5 -0.132374772534E+04 0.16303E-01 -0.95648E-01 3456 0.223E-01 0.128E+00 DAV: 6 -0.132372573103E+04 0.21994E-01 -0.73241E-02 3360 0.190E-01 0.958E-01 DAV: 7 -0.132371366947E+04 0.12062E-01 -0.43600E-02 3584 0.126E-01 0.547E-01 DAV: 8 -0.132371547138E+04 -0.18019E-02 -0.99876E-02 3456 0.198E-01 0.906E-01 DAV: 9 -0.132371041222E+04 0.50592E-02 -0.16404E-02 3360 0.872E-02 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0.248E-01 0.857E-01 DAV: 8 -0.132376423341E+04 0.53264E-02 -0.10194E-01 3360 0.260E-01 0.139E+00 DAV: 9 -0.132376074401E+04 0.34894E-02 -0.12708E-01 3520 0.157E-01 0.115E+00 DAV: 10 -0.132375670914E+04 0.40349E-02 -0.48351E-02 3296 0.108E-01 0.621E-01 DAV: 11 -0.132375528007E+04 0.14291E-02 -0.11154E-02 3200 0.574E-02 0.400E-01 DAV: 12 -0.132375574380E+04 -0.46373E-03 -0.88504E-03 2752 0.439E-02 0.249E-01 DAV: 13 -0.132375503537E+04 0.70843E-03 -0.15895E-03 2848 0.309E-02 0.955E-02 DAV: 14 -0.132375510505E+04 -0.69688E-04 -0.11834E-03 2592 0.230E-02 0.172E-01 DAV: 15 -0.132375498192E+04 0.12313E-03 -0.43961E-04 2112 0.141E-02 0.854E-02 DAV: 16 -0.132375497915E+04 0.27748E-05 -0.39526E-04 2112 0.785E-03 28 F= -.13455604E+04 E0= -.13455119E+04 d E =-.112365E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132380158254E+04 -0.46601E-01 -0.18046E+01 2816 0.477E+00 0.171E+00 DAV: 2 -0.132446860904E+04 -0.66703E+00 -0.73123E+00 3488 0.104E+00 0.102E+01 DAV: 3 -0.132382670701E+04 0.64190E+00 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DAV: 11 -0.132400851602E+04 0.11025E-02 -0.15850E-02 3168 0.479E-02 0.337E-01 DAV: 12 -0.132400800130E+04 0.51472E-03 -0.55384E-03 3104 0.403E-02 0.121E-01 DAV: 13 -0.132400815004E+04 -0.14875E-03 -0.25429E-03 2848 0.215E-02 0.250E-01 DAV: 14 -0.132400798475E+04 0.16529E-03 -0.11018E-03 2432 0.132E-02 0.860E-02 DAV: 15 -0.132400800620E+04 -0.21440E-04 -0.64827E-04 2240 0.888E-03 31 F= -.13457977E+04 E0= -.13457502E+04 d E =-.870529E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132399981782E+04 0.81669E-02 -0.23322E+01 2816 0.552E+00 0.222E+00 DAV: 2 -0.132492798536E+04 -0.92817E+00 -0.10438E+01 3488 0.125E+00 0.113E+01 DAV: 3 -0.132409260077E+04 0.83538E+00 -0.51931E+00 3584 0.641E-01 0.415E+00 DAV: 4 -0.132405967161E+04 0.32929E-01 -0.17964E+00 3200 0.279E-01 0.174E+00 DAV: 5 -0.132406031320E+04 -0.64159E-03 -0.29833E-01 3328 0.258E-01 0.191E+00 DAV: 6 -0.132404372793E+04 0.16585E-01 -0.19703E-01 3424 0.176E-01 0.164E+00 DAV: 7 -0.132406695117E+04 -0.23223E-01 -0.29610E-01 3328 0.192E-01 0.222E+00 DAV: 8 -0.132404251505E+04 0.24436E-01 -0.28114E-01 3104 0.180E-01 0.921E-01 DAV: 9 -0.132403936051E+04 0.31545E-02 -0.31594E-02 3360 0.111E-01 0.101E+00 DAV: 10 -0.132403609801E+04 0.32625E-02 -0.17473E-02 3040 0.582E-02 0.513E-01 DAV: 11 -0.132403564208E+04 0.45592E-03 -0.82153E-03 3104 0.406E-02 0.272E-01 DAV: 12 -0.132403545326E+04 0.18882E-03 -0.25702E-03 2976 0.301E-02 0.906E-02 DAV: 13 -0.132403555633E+04 -0.10307E-03 -0.16357E-03 2752 0.157E-02 0.122E-01 DAV: 14 -0.132403548273E+04 0.73599E-04 -0.14254E-03 2144 0.992E-03 0.132E-01 DAV: 15 -0.132403544263E+04 0.40096E-04 -0.29230E-04 2048 0.837E-03 32 F= -.13458207E+04 E0= -.13457738E+04 d E =-.110101E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132406505600E+04 -0.29573E-01 -0.25412E+01 2816 0.575E+00 0.249E+00 DAV: 2 -0.132535744556E+04 -0.12924E+01 -0.14888E+01 3456 0.140E+00 0.121E+01 DAV: 3 -0.132416126026E+04 0.11962E+01 -0.63979E+00 3616 0.776E-01 0.391E+00 DAV: 4 -0.132413375517E+04 0.27505E-01 -0.17156E+00 3200 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E =-.787154E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132415286194E+04 -0.29497E-01 -0.24260E+01 2816 0.560E+00 0.169E+00 DAV: 2 -0.132461875746E+04 -0.46590E+00 -0.49725E+00 3488 0.104E+00 0.957E+00 DAV: 3 -0.132420828935E+04 0.41047E+00 -0.38234E+00 3712 0.473E-01 0.252E+00 DAV: 4 -0.132422450767E+04 -0.16218E-01 -0.64624E-01 3296 0.242E-01 0.181E+00 DAV: 5 -0.132420238375E+04 0.22124E-01 -0.15915E-01 3520 0.189E-01 0.851E-01 DAV: 6 -0.132419658795E+04 0.57958E-02 -0.72617E-02 3552 0.119E-01 0.854E-01 DAV: 7 -0.132420217538E+04 -0.55874E-02 -0.11429E-01 3488 0.122E-01 0.117E+00 DAV: 8 -0.132419821000E+04 0.39654E-02 -0.12659E-01 3232 0.134E-01 0.532E-01 DAV: 9 -0.132419493543E+04 0.32746E-02 -0.24342E-02 3136 0.932E-02 0.492E-01 DAV: 10 -0.132419493978E+04 -0.43441E-05 -0.90271E-03 3392 0.445E-02 0.304E-01 DAV: 11 -0.132419421475E+04 0.72503E-03 -0.48679E-03 2848 0.349E-02 0.134E-01 DAV: 12 -0.132419417521E+04 0.39542E-04 -0.75144E-04 2336 0.143E-02 35 F= -.13459678E+04 E0= -.13459208E+04 d E =-.683262E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132413983432E+04 0.54380E-01 -0.57324E+01 2816 0.862E+00 0.263E+00 DAV: 2 -0.132509077284E+04 -0.95094E+00 -0.10697E+01 3520 0.162E+00 0.121E+01 DAV: 3 -0.132429855534E+04 0.79222E+00 -0.91321E+00 3840 0.755E-01 0.381E+00 DAV: 4 -0.132433255966E+04 -0.34004E-01 -0.28012E+00 3264 0.370E-01 0.337E+00 DAV: 5 -0.132433429039E+04 -0.17307E-02 -0.10316E+00 3488 0.354E-01 0.447E+00 DAV: 6 -0.132427131792E+04 0.62972E-01 -0.46705E-01 3456 0.239E-01 0.109E+00 DAV: 7 -0.132425436210E+04 0.16956E-01 -0.78217E-02 3520 0.222E-01 0.100E+00 DAV: 8 -0.132425347516E+04 0.88694E-03 -0.15068E-01 3648 0.261E-01 0.157E+00 DAV: 9 -0.132424052921E+04 0.12946E-01 -0.89813E-02 3392 0.150E-01 0.610E-01 DAV: 10 -0.132424148526E+04 -0.95604E-03 -0.42224E-02 3232 0.753E-02 0.546E-01 DAV: 11 -0.132423988090E+04 0.16044E-02 -0.29556E-02 2976 0.483E-02 0.338E-01 DAV: 12 -0.132423952238E+04 0.35852E-03 -0.54128E-03 3136 0.345E-02 0.245E-01 DAV: 13 -0.132423938918E+04 0.13320E-03 -0.23519E-03 2944 0.310E-02 0.189E-01 DAV: 14 -0.132423923784E+04 0.15133E-03 -0.14350E-03 2688 0.216E-02 0.102E-01 DAV: 15 -0.132423919838E+04 0.39459E-04 -0.43653E-04 2112 0.115E-02 36 F= -.13460084E+04 E0= -.13459617E+04 d E =-.108928E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.132423822270E+04 0.10151E-02 -0.37315E+01 2816 0.716E+00 0.276E+00 DAV: 2 -0.132522999533E+04 -0.99177E+00 -0.11556E+01 3488 0.154E+00 0.122E+01 DAV: 3 -0.132445331268E+04 0.77668E+00 -0.11258E+01 3584 0.825E-01 0.634E+00 DAV: 4 -0.132437353086E+04 0.79782E-01 -0.41376E+00 3264 0.393E-01 0.275E+00 DAV: 5 -0.132436912897E+04 0.44019E-02 -0.68895E-01 3520 0.351E-01 0.284E+00 DAV: 6 -0.132432892188E+04 0.40207E-01 -0.36463E-01 3520 0.329E-01 0.180E+00 DAV: 7 -0.132432268106E+04 0.62408E-02 -0.18186E-01 3552 0.176E-01 0.138E+00 DAV: 8 -0.132431475239E+04 0.79287E-02 -0.90952E-02 3424 0.179E-01 0.110E+00 DAV: 9 -0.132430580642E+04 0.89460E-02 -0.71913E-02 3456 0.173E-01 0.815E-01 DAV: 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0.171E-01 DAV: 8 -0.132430770615E+04 -0.88244E-04 -0.31528E-03 2848 0.247E-02 0.206E-01 DAV: 9 -0.132430750325E+04 0.20289E-03 -0.18123E-03 2560 0.164E-02 0.103E-01 DAV: 10 -0.132430749907E+04 0.41779E-05 -0.46261E-04 2240 0.949E-03 38 F= -.13460699E+04 E0= -.13460237E+04 d E =-.615591E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132432654259E+04 -0.19039E-01 -0.28416E+01 2816 0.640E+00 0.197E+00 DAV: 2 -0.132448365896E+04 -0.15712E+00 -0.17569E+00 3392 0.108E+00 0.519E+00 DAV: 3 -0.132449363560E+04 -0.99766E-02 -0.31911E+00 3744 0.426E-01 0.646E+00 DAV: 4 -0.132446043675E+04 0.33199E-01 -0.26874E+00 3360 0.297E-01 0.558E+00 DAV: 5 -0.132440365818E+04 0.56779E-01 -0.96386E-01 3616 0.299E-01 0.180E+00 DAV: 6 -0.132439549300E+04 0.81652E-02 -0.49613E-01 3232 0.170E-01 0.101E+00 DAV: 7 -0.132438357467E+04 0.11918E-01 -0.70084E-02 3232 0.171E-01 0.824E-01 DAV: 8 -0.132438256330E+04 0.10114E-02 -0.57010E-02 3424 0.117E-01 0.645E-01 DAV: 9 -0.132438132840E+04 0.12349E-02 -0.22388E-02 3456 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-0.41206E-02 3552 0.102E-01 0.617E-01 DAV: 9 -0.132441196485E+04 0.65412E-03 -0.29893E-02 3296 0.725E-02 0.562E-01 DAV: 10 -0.132441079936E+04 0.11655E-02 -0.12955E-02 3072 0.458E-02 0.155E-01 DAV: 11 -0.132441096757E+04 -0.16821E-03 -0.18204E-03 2752 0.360E-02 0.205E-01 DAV: 12 -0.132441072486E+04 0.24271E-03 -0.92802E-04 2816 0.225E-02 0.875E-02 DAV: 13 -0.132441071313E+04 0.11724E-04 -0.42195E-04 2304 0.119E-02 40 F= -.13461589E+04 E0= -.13461144E+04 d E =-.889976E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132444065788E+04 -0.29933E-01 -0.19525E+01 2816 0.536E+00 0.142E+00 DAV: 2 -0.132449421490E+04 -0.53557E-01 -0.60819E-01 3424 0.844E-01 0.158E+00 DAV: 3 -0.132460508920E+04 -0.11087E+00 -0.16852E+00 3680 0.314E-01 0.676E+00 DAV: 4 -0.132450392421E+04 0.10116E+00 -0.17054E+00 3712 0.248E-01 0.296E+00 DAV: 5 -0.132448796548E+04 0.15959E-01 -0.32323E-01 3552 0.186E-01 0.119E+00 DAV: 6 -0.132448053214E+04 0.74333E-02 -0.66093E-02 3328 0.123E-01 0.533E-01 DAV: 7 -0.132448350395E+04 -0.29718E-02 -0.43053E-02 3392 0.133E-01 0.729E-01 DAV: 8 -0.132448004006E+04 0.34639E-02 -0.59205E-02 3328 0.111E-01 0.526E-01 DAV: 9 -0.132447867384E+04 0.13662E-02 -0.10912E-02 3328 0.557E-02 0.209E-01 DAV: 10 -0.132447876136E+04 -0.87515E-04 -0.40719E-03 3008 0.302E-02 0.155E-01 DAV: 11 -0.132447861703E+04 0.14433E-03 -0.18416E-03 2560 0.162E-02 0.629E-02 DAV: 12 -0.132447859926E+04 0.17766E-04 -0.42126E-04 2272 0.115E-02 41 F= -.13462176E+04 E0= -.13461725E+04 d E =-.586545E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132443951422E+04 0.39103E-01 -0.45861E+01 2816 0.821E+00 0.220E+00 DAV: 2 -0.132456749920E+04 -0.12798E+00 -0.14869E+00 3392 0.130E+00 0.229E+00 DAV: 3 -0.132462179209E+04 -0.54293E-01 -0.19849E+00 3584 0.444E-01 0.440E+00 DAV: 4 -0.132470455390E+04 -0.82762E-01 -0.31418E+00 3552 0.377E-01 0.723E+00 DAV: 5 -0.132456953196E+04 0.13502E+00 -0.14179E+00 3648 0.298E-01 0.222E+00 DAV: 6 -0.132454977610E+04 0.19756E-01 -0.24475E-01 3296 0.177E-01 0.110E+00 DAV: 7 -0.132453344091E+04 0.16335E-01 -0.47436E-02 3424 0.181E-01 0.617E-01 DAV: 8 -0.132453621409E+04 -0.27732E-02 -0.93324E-02 3456 0.188E-01 0.846E-01 DAV: 9 -0.132453696651E+04 -0.75243E-03 -0.98483E-02 3456 0.134E-01 0.137E+00 DAV: 10 -0.132452938562E+04 0.75809E-02 -0.83952E-02 3424 0.749E-02 0.252E-01 DAV: 11 -0.132452967543E+04 -0.28982E-03 -0.10193E-02 3296 0.479E-02 0.339E-01 DAV: 12 -0.132452923373E+04 0.44170E-03 -0.10117E-02 3040 0.292E-02 0.166E-01 DAV: 13 -0.132452911171E+04 0.12202E-03 -0.82317E-04 2784 0.182E-02 0.138E-01 DAV: 14 -0.132452902746E+04 0.84250E-04 -0.53287E-04 2400 0.128E-02 42 F= -.13462537E+04 E0= -.13462077E+04 d E =-.947184E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132453959527E+04 -0.10484E-01 -0.19778E+01 2816 0.544E+00 0.162E+00 DAV: 2 -0.132472281085E+04 -0.18322E+00 -0.19781E+00 3392 0.946E-01 0.642E+00 DAV: 3 -0.132464932961E+04 0.73481E-01 -0.27486E+00 3808 0.345E-01 0.484E+00 DAV: 4 -0.132460216789E+04 0.47162E-01 -0.97117E-01 3392 0.288E-01 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-0.32497E+00 3744 0.376E-01 0.560E+00 DAV: 4 -0.132468972208E+04 0.96025E-01 -0.94354E-01 3616 0.278E-01 0.166E+00 DAV: 5 -0.132468172045E+04 0.80016E-02 -0.11149E-01 3424 0.178E-01 0.886E-01 DAV: 6 -0.132467933719E+04 0.23833E-02 -0.52872E-02 3648 0.110E-01 0.612E-01 DAV: 7 -0.132467910745E+04 0.22974E-03 -0.34491E-02 3328 0.764E-02 0.544E-01 DAV: 8 -0.132467938676E+04 -0.27931E-03 -0.31175E-02 3360 0.743E-02 0.646E-01 DAV: 9 -0.132467819948E+04 0.11873E-02 -0.12099E-02 3200 0.549E-02 0.316E-01 DAV: 10 -0.132467793160E+04 0.26789E-03 -0.42259E-03 2784 0.407E-02 0.139E-01 DAV: 11 -0.132467781321E+04 0.11839E-03 -0.11630E-03 2784 0.276E-02 0.778E-02 DAV: 12 -0.132467775874E+04 0.54473E-04 -0.17205E-04 2080 0.124E-02 46 F= -.13463751E+04 E0= -.13463310E+04 d E =-.663198E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132469504451E+04 -0.17231E-01 -0.14346E+01 2816 0.471E+00 0.138E+00 DAV: 2 -0.132503881822E+04 -0.34377E+00 -0.37892E+00 3488 0.899E-01 0.812E+00 DAV: 3 -0.132473520126E+04 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-0.132484494711E+04 0.70957E+00 -0.65375E+00 3680 0.708E-01 0.495E+00 DAV: 4 -0.132480289184E+04 0.42055E-01 -0.29298E+00 3328 0.340E-01 0.198E+00 DAV: 5 -0.132480457968E+04 -0.16878E-02 -0.43928E-01 3360 0.279E-01 0.279E+00 DAV: 6 -0.132477033997E+04 0.34240E-01 -0.19251E-01 3488 0.242E-01 0.904E-01 DAV: 7 -0.132477413228E+04 -0.37923E-02 -0.11360E-01 3328 0.217E-01 0.162E+00 DAV: 8 -0.132476470741E+04 0.94249E-02 -0.10782E-01 3360 0.153E-01 0.512E-01 DAV: 9 -0.132476623805E+04 -0.15306E-02 -0.63299E-02 3488 0.146E-01 0.868E-01 DAV: 10 -0.132476171310E+04 0.45250E-02 -0.42809E-02 3072 0.925E-02 0.418E-01 DAV: 11 -0.132476113086E+04 0.58224E-03 -0.68542E-03 3296 0.450E-02 0.274E-01 DAV: 12 -0.132476109377E+04 0.37091E-04 -0.43098E-03 2944 0.242E-02 0.216E-01 DAV: 13 -0.132476089530E+04 0.19848E-03 -0.81850E-04 2880 0.228E-02 0.695E-02 DAV: 14 -0.132476092975E+04 -0.34451E-04 -0.92577E-04 2336 0.128E-02 48 F= -.13464353E+04 E0= -.13463922E+04 d E =-.601698E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132477888667E+04 -0.17991E-01 -0.15146E+01 2816 0.487E+00 0.218E+00 DAV: 2 -0.132583982099E+04 -0.10609E+01 -0.12273E+01 3648 0.124E+00 0.124E+01 DAV: 3 -0.132487601547E+04 0.96381E+00 -0.79609E+00 3584 0.730E-01 0.476E+00 DAV: 4 -0.132482409214E+04 0.51923E-01 -0.16558E+00 3296 0.289E-01 0.105E+00 DAV: 5 -0.132481795190E+04 0.61402E-02 -0.15927E-01 3360 0.267E-01 0.155E+00 DAV: 6 -0.132480904213E+04 0.89098E-02 -0.11292E-01 3552 0.166E-01 0.114E+00 DAV: 7 -0.132480892382E+04 0.11831E-03 -0.76807E-02 3488 0.112E-01 0.996E-01 DAV: 8 -0.132480867198E+04 0.25184E-03 -0.87145E-02 3424 0.129E-01 0.943E-01 DAV: 9 -0.132480477663E+04 0.38954E-02 -0.22175E-02 3264 0.760E-02 0.339E-01 DAV: 10 -0.132480533279E+04 -0.55616E-03 -0.59069E-03 3104 0.473E-02 0.431E-01 DAV: 11 -0.132480495534E+04 0.37745E-03 -0.80970E-03 2880 0.601E-02 0.306E-01 DAV: 12 -0.132480440622E+04 0.54912E-03 -0.19870E-03 2720 0.287E-02 0.650E-02 DAV: 13 -0.132480440819E+04 -0.19668E-05 -0.38393E-04 2336 0.135E-02 49 F= -.13464690E+04 E0= -.13464256E+04 d E =-.337140E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132479246321E+04 0.11943E-01 -0.19680E+01 2816 0.555E+00 0.249E+00 DAV: 2 -0.132609396082E+04 -0.13015E+01 -0.15203E+01 3552 0.140E+00 0.133E+01 DAV: 3 -0.132493512252E+04 0.11588E+01 -0.10720E+01 3648 0.851E-01 0.566E+00 DAV: 4 -0.132485194150E+04 0.83181E-01 -0.22751E+00 3360 0.337E-01 0.136E+00 DAV: 5 -0.132484470539E+04 0.72361E-02 -0.26341E-01 3264 0.319E-01 0.192E+00 DAV: 6 -0.132483391980E+04 0.10786E-01 -0.17414E-01 3552 0.193E-01 0.145E+00 DAV: 7 -0.132483488245E+04 -0.96265E-03 -0.13384E-01 3488 0.127E-01 0.144E+00 DAV: 8 -0.132482773824E+04 0.71442E-02 -0.79426E-02 3424 0.130E-01 0.703E-01 DAV: 9 -0.132482722567E+04 0.51257E-03 -0.31247E-02 3584 0.110E-01 0.427E-01 DAV: 10 -0.132482629867E+04 0.92701E-03 -0.25678E-02 3136 0.819E-02 0.523E-01 DAV: 11 -0.132482601933E+04 0.27933E-03 -0.50440E-03 3200 0.471E-02 0.596E-01 DAV: 12 -0.132482537348E+04 0.64586E-03 -0.66855E-03 2912 0.328E-02 0.115E-01 DAV: 13 -0.132482529351E+04 0.79967E-04 -0.73244E-04 2688 0.200E-02 50 F= -.13464788E+04 E0= -.13464349E+04 d E =-.435159E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132483931865E+04 -0.13945E-01 -0.16390E+01 2816 0.510E+00 0.121E+00 DAV: 2 -0.132501506596E+04 -0.17575E+00 -0.17676E+00 3488 0.864E-01 0.704E+00 DAV: 3 -0.132489184334E+04 0.12322E+00 -0.18537E+00 3712 0.295E-01 0.314E+00 DAV: 4 -0.132488413498E+04 0.77084E-02 -0.43896E-01 3456 0.212E-01 0.160E+00 DAV: 5 -0.132487433139E+04 0.98036E-02 -0.10659E-01 3488 0.142E-01 0.765E-01 DAV: 6 -0.132487298418E+04 0.13472E-02 -0.24755E-02 3584 0.949E-02 0.428E-01 DAV: 7 -0.132487399669E+04 -0.10125E-02 -0.16652E-02 3360 0.799E-02 0.571E-01 DAV: 8 -0.132487250015E+04 0.14965E-02 -0.16085E-02 3360 0.627E-02 0.215E-01 DAV: 9 -0.132487255879E+04 -0.58638E-04 -0.41770E-03 2944 0.363E-02 0.161E-01 DAV: 10 -0.132487246265E+04 0.96140E-04 -0.17978E-03 2880 0.241E-02 0.104E-01 DAV: 11 -0.132487241206E+04 0.50586E-04 -0.81204E-04 2240 0.117E-02 51 F= -.13465144E+04 E0= -.13464704E+04 d E =-.356547E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132485537581E+04 0.17087E-01 -0.28203E+01 2816 0.669E+00 0.160E+00 DAV: 2 -0.132513604159E+04 -0.28067E+00 -0.28996E+00 3488 0.113E+00 0.800E+00 DAV: 3 -0.132495354356E+04 0.18250E+00 -0.28754E+00 3776 0.379E-01 0.414E+00 DAV: 4 -0.132493227881E+04 0.21265E-01 -0.75934E-01 3488 0.273E-01 0.209E+00 DAV: 5 -0.132491624712E+04 0.16032E-01 -0.18580E-01 3520 0.184E-01 0.106E+00 DAV: 6 -0.132491357350E+04 0.26736E-02 -0.44264E-02 3552 0.121E-01 0.547E-01 DAV: 7 -0.132491554895E+04 -0.19755E-02 -0.26659E-02 3488 0.100E-01 0.803E-01 DAV: 8 -0.132491285906E+04 0.26899E-02 -0.29532E-02 3296 0.790E-02 0.293E-01 DAV: 9 -0.132491327615E+04 -0.41708E-03 -0.10915E-02 3008 0.496E-02 0.311E-01 DAV: 10 -0.132491279143E+04 0.48472E-03 -0.44557E-03 2784 0.354E-02 0.156E-01 DAV: 11 -0.132491270322E+04 0.88204E-04 -0.11762E-03 2592 0.195E-02 0.130E-01 DAV: 12 -0.132491267308E+04 0.30143E-04 -0.22807E-04 2112 0.916E-03 52 F= -.13465397E+04 E0= -.13464955E+04 d E =-.609025E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132469077553E+04 0.22193E+00 -0.11278E+02 2816 0.134E+01 0.327E+00 DAV: 2 -0.132547993359E+04 -0.78916E+00 -0.87040E+00 3424 0.223E+00 0.100E+01 DAV: 3 -0.132514993145E+04 0.33000E+00 -0.88474E+00 3968 0.743E-01 0.700E+00 DAV: 4 -0.132500309462E+04 0.14684E+00 -0.27206E+00 3520 0.540E-01 0.441E+00 DAV: 5 -0.132495571924E+04 0.47375E-01 -0.10811E+00 3520 0.375E-01 0.282E+00 DAV: 6 -0.132492960094E+04 0.26118E-01 -0.30657E-01 3584 0.264E-01 0.109E+00 DAV: 7 -0.132493017060E+04 -0.56967E-03 -0.11781E-01 3424 0.208E-01 0.136E+00 DAV: 8 -0.132493089924E+04 -0.72864E-03 -0.15495E-01 3584 0.193E-01 0.109E+00 DAV: 9 -0.132492731439E+04 0.35849E-02 -0.19939E-01 3296 0.193E-01 0.775E-01 DAV: 10 -0.132492665289E+04 0.66150E-03 -0.69089E-02 3264 0.115E-01 0.992E-01 DAV: 11 -0.132492403448E+04 0.26184E-02 -0.11702E-02 3104 0.524E-02 0.486E-01 DAV: 12 -0.132492350165E+04 0.53284E-03 -0.53501E-03 3104 0.359E-02 0.353E-01 DAV: 13 -0.132492322512E+04 0.27652E-03 -0.35067E-03 2752 0.210E-02 0.979E-02 DAV: 14 -0.132492328453E+04 -0.59406E-04 -0.36937E-04 2496 0.156E-02 53 F= -.13465204E+04 E0= -.13464761E+04 d E =-.415698E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132480685833E+04 0.11637E+00 -0.59294E+01 2816 0.969E+00 0.227E+00 DAV: 2 -0.132531880868E+04 -0.51195E+00 -0.56000E+00 3424 0.163E+00 0.943E+00 DAV: 3 -0.132498022161E+04 0.33859E+00 -0.46088E+00 3712 0.533E-01 0.472E+00 DAV: 4 -0.132501407343E+04 -0.33852E-01 -0.17844E+00 3520 0.389E-01 0.499E+00 DAV: 5 -0.132493889069E+04 0.75183E-01 -0.70173E-01 3520 0.244E-01 0.132E+00 DAV: 6 -0.132493372073E+04 0.51700E-02 -0.98286E-02 3552 0.202E-01 0.155E+00 DAV: 7 -0.132492952012E+04 0.42006E-02 -0.85545E-02 3584 0.185E-01 0.106E+00 DAV: 8 -0.132496004893E+04 -0.30529E-01 -0.27113E-01 3520 0.238E-01 0.219E+00 DAV: 9 -0.132492998092E+04 0.30068E-01 -0.10394E-01 3136 0.158E-01 0.156E+00 DAV: 10 -0.132492769243E+04 0.22885E-02 -0.25482E-02 3392 0.719E-02 0.829E-01 DAV: 11 -0.132492615623E+04 0.15362E-02 -0.10748E-02 3232 0.422E-02 0.384E-01 DAV: 12 -0.132492510136E+04 0.10549E-02 -0.97851E-03 2944 0.515E-02 0.277E-01 DAV: 13 -0.132492499869E+04 0.10266E-03 -0.26158E-03 3104 0.237E-02 0.155E-01 DAV: 14 -0.132492490836E+04 0.90336E-04 -0.11825E-03 2496 0.152E-02 0.416E-02 DAV: 15 -0.132492492674E+04 -0.18383E-04 -0.27813E-04 2112 0.921E-03 54 F= -.13465437E+04 E0= -.13464997E+04 d E =-.649084E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132493892990E+04 -0.14022E-01 -0.24399E+01 2816 0.630E+00 0.271E+00 DAV: 2 -0.132583218859E+04 -0.89326E+00 -0.10147E+01 3552 0.139E+00 0.108E+01 DAV: 3 -0.132508872372E+04 0.74346E+00 -0.62646E+00 3648 0.688E-01 0.584E+00 DAV: 4 -0.132500339941E+04 0.85324E-01 -0.19586E+00 3616 0.389E-01 0.179E+00 DAV: 5 -0.132501415652E+04 -0.10757E-01 -0.31755E-01 3424 0.301E-01 0.290E+00 DAV: 6 -0.132499034998E+04 0.23807E-01 -0.33123E-01 3520 0.199E-01 0.147E+00 DAV: 7 -0.132498489861E+04 0.54514E-02 -0.47880E-02 3264 0.180E-01 0.636E-01 DAV: 8 -0.132498375046E+04 0.11481E-02 -0.40581E-02 3360 0.126E-01 0.321E-01 DAV: 9 -0.132498295291E+04 0.79755E-03 -0.10141E-02 3232 0.790E-02 0.421E-01 DAV: 10 -0.132498287964E+04 0.73269E-04 -0.98617E-03 3136 0.407E-02 0.230E-01 DAV: 11 -0.132498262811E+04 0.25153E-03 -0.44758E-03 2784 0.327E-02 0.181E-01 DAV: 12 -0.132498253762E+04 0.90497E-04 -0.22073E-03 2592 0.176E-02 0.120E-01 DAV: 13 -0.132498250171E+04 0.35908E-04 -0.70693E-04 2432 0.122E-02 55 F= -.13465905E+04 E0= -.13465473E+04 d E =-.467685E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132498426163E+04 -0.17240E-02 -0.24363E+00 2880 0.199E+00 0.851E-01 DAV: 2 -0.132512202300E+04 -0.13776E+00 -0.13383E+00 3392 0.437E-01 0.690E+00 DAV: 3 -0.132499324946E+04 0.12877E+00 -0.13189E+00 3712 0.228E-01 0.200E+00 DAV: 4 -0.132499128530E+04 0.19642E-02 -0.16034E-01 3392 0.136E-01 0.772E-01 DAV: 5 -0.132499053416E+04 0.75114E-03 -0.29611E-02 3328 0.910E-02 0.616E-01 DAV: 6 -0.132498884851E+04 0.16857E-02 -0.14253E-02 3264 0.565E-02 0.279E-01 DAV: 7 -0.132498924809E+04 -0.39958E-03 -0.65352E-03 3104 0.536E-02 0.289E-01 DAV: 8 -0.132498865651E+04 0.59158E-03 -0.30291E-03 2944 0.391E-02 0.658E-02 DAV: 9 -0.132498871787E+04 -0.61365E-04 -0.71292E-04 2528 0.198E-02 56 F= -.13465933E+04 E0= -.13465502E+04 d E =-.495746E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132500208086E+04 -0.13424E-01 -0.14302E+01 2816 0.485E+00 0.136E+00 DAV: 2 -0.132510640899E+04 -0.10433E+00 -0.11372E+00 3360 0.810E-01 0.506E+00 DAV: 3 -0.132507628494E+04 0.30124E-01 -0.17343E+00 3840 0.275E-01 0.459E+00 DAV: 4 -0.132503760289E+04 0.38682E-01 -0.56916E-01 3488 0.221E-01 0.125E+00 DAV: 5 -0.132503601613E+04 0.15868E-02 -0.10845E-01 3520 0.144E-01 0.115E+00 DAV: 6 -0.132503180329E+04 0.42128E-02 -0.52256E-02 3648 0.105E-01 0.539E-01 DAV: 7 -0.132503271050E+04 -0.90721E-03 -0.30223E-02 3392 0.880E-02 0.753E-01 DAV: 8 -0.132503147078E+04 0.12397E-02 -0.98770E-03 3456 0.544E-02 0.372E-01 DAV: 9 -0.132503128011E+04 0.19066E-03 -0.29191E-03 3040 0.281E-02 0.134E-01 DAV: 10 -0.132503122258E+04 0.57535E-04 -0.86592E-04 2592 0.173E-02 57 F= -.13466274E+04 E0= -.13465850E+04 d E =-.340990E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132503088117E+04 0.39894E-03 -0.64629E+00 2816 0.326E+00 0.934E-01 DAV: 2 -0.132509225914E+04 -0.61378E-01 -0.65763E-01 3360 0.553E-01 0.428E+00 DAV: 3 -0.132505848130E+04 0.33778E-01 -0.89329E-01 3712 0.194E-01 0.278E+00 DAV: 4 -0.132505025372E+04 0.82276E-02 -0.26876E-01 3456 0.152E-01 0.114E+00 DAV: 5 -0.132504607576E+04 0.41780E-02 -0.71249E-02 3488 0.104E-01 0.690E-01 DAV: 6 -0.132504439447E+04 0.16813E-02 -0.22152E-02 3328 0.685E-02 0.340E-01 DAV: 7 -0.132504582319E+04 -0.14287E-02 -0.17910E-02 3264 0.718E-02 0.514E-01 DAV: 8 -0.132504431753E+04 0.15057E-02 -0.82395E-03 3296 0.592E-02 0.353E-01 DAV: 9 -0.132504413129E+04 0.18624E-03 -0.34281E-03 2816 0.258E-02 0.166E-01 DAV: 10 -0.132504404679E+04 0.84502E-04 -0.10120E-03 2784 0.153E-02 0.474E-02 DAV: 11 -0.132504404756E+04 -0.77835E-06 -0.90134E-05 1984 0.904E-03 58 F= -.13466345E+04 E0= -.13465922E+04 d E =-.412710E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132506635686E+04 -0.22310E-01 -0.13412E+01 2816 0.469E+00 0.178E+00 DAV: 2 -0.132558856315E+04 -0.52221E+00 -0.57270E+00 3520 0.101E+00 0.983E+00 DAV: 3 -0.132509741387E+04 0.49115E+00 -0.40936E+00 3776 0.511E-01 0.174E+00 DAV: 4 -0.132511387013E+04 -0.16456E-01 -0.51347E-01 3328 0.255E-01 0.178E+00 DAV: 5 -0.132510597466E+04 0.78955E-02 -0.22955E-01 3456 0.189E-01 0.147E+00 DAV: 6 -0.132509630800E+04 0.96667E-02 -0.10862E-01 3584 0.129E-01 0.866E-01 DAV: 7 -0.132509564023E+04 0.66777E-03 -0.75058E-02 3520 0.145E-01 0.103E+00 DAV: 8 -0.132509411435E+04 0.15259E-02 -0.25489E-02 3488 0.895E-02 0.603E-01 DAV: 9 -0.132509328192E+04 0.83243E-03 -0.13651E-02 3232 0.536E-02 0.608E-01 DAV: 10 -0.132509278187E+04 0.50005E-03 -0.39112E-03 3104 0.498E-02 0.242E-01 DAV: 11 -0.132509252799E+04 0.25388E-03 -0.22331E-03 3040 0.357E-02 0.709E-02 DAV: 12 -0.132509259786E+04 -0.69875E-04 -0.13284E-03 2592 0.148E-02 0.987E-02 DAV: 13 -0.132509252207E+04 0.75790E-04 -0.46360E-04 2112 0.877E-03 59 F= -.13466719E+04 E0= -.13466292E+04 d E =-.373465E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132509292005E+04 -0.32219E-03 -0.93849E+00 2816 0.392E+00 0.152E+00 DAV: 2 -0.132547616213E+04 -0.38324E+00 -0.41071E+00 3488 0.839E-01 0.884E+00 DAV: 3 -0.132511296916E+04 0.36319E+00 -0.27932E+00 3712 0.413E-01 0.168E+00 DAV: 4 -0.132513040185E+04 -0.17433E-01 -0.43120E-01 3456 0.222E-01 0.210E+00 DAV: 5 -0.132511950684E+04 0.10895E-01 -0.21898E-01 3392 0.163E-01 0.109E+00 DAV: 6 -0.132511315214E+04 0.63547E-02 -0.70629E-02 3648 0.114E-01 0.736E-01 DAV: 7 -0.132511378640E+04 -0.63425E-03 -0.55659E-02 3360 0.111E-01 0.848E-01 DAV: 8 -0.132511328179E+04 0.50460E-03 -0.16847E-02 3424 0.779E-02 0.744E-01 DAV: 9 -0.132511179810E+04 0.14837E-02 -0.56044E-03 3328 0.527E-02 0.575E-01 DAV: 10 -0.132511124553E+04 0.55257E-03 -0.39329E-03 2976 0.321E-02 0.170E-01 DAV: 11 -0.132511124247E+04 0.30548E-05 -0.10757E-03 2816 0.229E-02 0.802E-02 DAV: 12 -0.132511128105E+04 -0.38579E-04 -0.89891E-04 2208 0.998E-03 60 F= -.13466813E+04 E0= -.13466383E+04 d E =-.467747E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132512842949E+04 -0.17187E-01 -0.13637E+01 2816 0.477E+00 0.131E+00 DAV: 2 -0.132517222461E+04 -0.43795E-01 -0.48492E-01 3456 0.790E-01 0.183E+00 DAV: 3 -0.132517001360E+04 0.22110E-02 -0.34007E-01 3904 0.260E-01 0.207E+00 DAV: 4 -0.132521286518E+04 -0.42852E-01 -0.80924E-01 3488 0.182E-01 0.500E+00 DAV: 5 -0.132515944590E+04 0.53419E-01 -0.66555E-01 3552 0.159E-01 0.149E+00 DAV: 6 -0.132515774797E+04 0.16979E-02 -0.86203E-02 3296 0.113E-01 0.718E-01 DAV: 7 -0.132515707748E+04 0.67050E-03 -0.39521E-02 3424 0.875E-02 0.550E-01 DAV: 8 -0.132515692684E+04 0.15063E-03 -0.21946E-02 3456 0.719E-02 0.452E-01 DAV: 9 -0.132515596386E+04 0.96298E-03 -0.94004E-03 3264 0.491E-02 0.148E-01 DAV: 10 -0.132515597778E+04 -0.13922E-04 -0.22099E-03 2944 0.221E-02 0.966E-02 DAV: 11 -0.132515592675E+04 0.51034E-04 -0.11253E-03 2592 0.117E-02 0.641E-02 DAV: 12 -0.132515591332E+04 0.13428E-04 -0.44637E-04 2016 0.905E-03 61 F= -.13467146E+04 E0= -.13466718E+04 d E =-.332448E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132514874736E+04 0.71794E-02 -0.15165E+01 2816 0.503E+00 0.139E+00 DAV: 2 -0.132519894049E+04 -0.50193E-01 -0.55890E-01 3456 0.834E-01 0.210E+00 DAV: 3 -0.132523360509E+04 -0.34665E-01 -0.90218E-01 3872 0.285E-01 0.477E+00 DAV: 4 -0.132520766651E+04 0.25939E-01 -0.11701E+00 3360 0.196E-01 0.346E+00 DAV: 5 -0.132518544061E+04 0.22226E-01 -0.39232E-01 3424 0.176E-01 0.145E+00 DAV: 6 -0.132518147561E+04 0.39650E-02 -0.98629E-02 3424 0.115E-01 0.724E-01 DAV: 7 -0.132518102789E+04 0.44772E-03 -0.42909E-02 3424 0.936E-02 0.633E-01 DAV: 8 -0.132518086141E+04 0.16648E-03 -0.30773E-02 3584 0.806E-02 0.591E-01 DAV: 9 -0.132517956378E+04 0.12976E-02 -0.15754E-02 3232 0.539E-02 0.245E-01 DAV: 10 -0.132517942570E+04 0.13808E-03 -0.30334E-03 2784 0.266E-02 0.202E-01 DAV: 11 -0.132517935062E+04 0.75075E-04 -0.10376E-03 2592 0.143E-02 0.660E-02 DAV: 12 -0.132517935130E+04 -0.67597E-06 -0.44794E-04 2144 0.934E-03 62 F= -.13467259E+04 E0= -.13466833E+04 d E =-.446398E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132519694622E+04 -0.17596E-01 -0.17398E+01 2816 0.532E+00 0.207E+00 DAV: 2 -0.132596708731E+04 -0.77014E+00 -0.84718E+00 3456 0.119E+00 0.107E+01 DAV: 3 -0.132526182548E+04 0.70526E+00 -0.45662E+00 3840 0.581E-01 0.374E+00 DAV: 4 -0.132524184826E+04 0.19977E-01 -0.87332E-01 3392 0.293E-01 0.163E+00 DAV: 5 -0.132524457192E+04 -0.27237E-02 -0.21000E-01 3360 0.215E-01 0.209E+00 DAV: 6 -0.132523184647E+04 0.12725E-01 -0.17952E-01 3488 0.149E-01 0.110E+00 DAV: 7 -0.132522854675E+04 0.32997E-02 -0.21740E-02 3136 0.101E-01 0.441E-01 DAV: 8 -0.132522837415E+04 0.17260E-03 -0.19227E-02 3392 0.690E-02 0.428E-01 DAV: 9 -0.132522813845E+04 0.23571E-03 -0.11191E-02 3296 0.546E-02 0.355E-01 DAV: 10 -0.132522792592E+04 0.21253E-03 -0.95252E-03 3200 0.414E-02 0.331E-01 DAV: 11 -0.132522775386E+04 0.17206E-03 -0.38733E-03 2752 0.274E-02 0.123E-01 DAV: 12 -0.132522771031E+04 0.43551E-04 -0.52681E-04 2432 0.171E-02 63 F= -.13467637E+04 E0= -.13467224E+04 d E =-.377319E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132522153925E+04 0.62146E-02 -0.15697E+01 2816 0.505E+00 0.192E+00 DAV: 2 -0.132587612162E+04 -0.65458E+00 -0.71179E+00 3456 0.108E+00 0.103E+01 DAV: 3 -0.132527421305E+04 0.60191E+00 -0.39637E+00 3840 0.523E-01 0.348E+00 DAV: 4 -0.132526315710E+04 0.11056E-01 -0.72062E-01 3520 0.277E-01 0.176E+00 DAV: 5 -0.132526095214E+04 0.22050E-02 -0.17727E-01 3360 0.195E-01 0.162E+00 DAV: 6 -0.132525238123E+04 0.85709E-02 -0.11975E-01 3584 0.130E-01 0.956E-01 DAV: 7 -0.132525169833E+04 0.68290E-03 -0.49891E-02 3008 0.102E-01 0.500E-01 DAV: 8 -0.132525021445E+04 0.14839E-02 -0.18862E-02 3264 0.607E-02 0.422E-01 DAV: 9 -0.132524980726E+04 0.40718E-03 -0.10185E-02 3008 0.393E-02 0.257E-01 DAV: 10 -0.132524965697E+04 0.15029E-03 -0.36491E-03 2816 0.281E-02 0.106E-01 DAV: 11 -0.132524975449E+04 -0.97520E-04 -0.21288E-03 2720 0.238E-02 0.213E-01 DAV: 12 -0.132524962164E+04 0.13285E-03 -0.11966E-03 2304 0.147E-02 0.488E-02 DAV: 13 -0.132524962146E+04 0.18053E-06 -0.19783E-04 2176 0.688E-03 64 F= -.13467754E+04 E0= -.13467350E+04 d E =-.494607E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132526384616E+04 -0.14225E-01 -0.17325E+01 2816 0.526E+00 0.135E+00 DAV: 2 -0.132534421256E+04 -0.80366E-01 -0.81685E-01 3296 0.831E-01 0.445E+00 DAV: 3 -0.132534632756E+04 -0.21150E-02 -0.16072E+00 3968 0.260E-01 0.435E+00 DAV: 4 -0.132530665467E+04 0.39673E-01 -0.43635E-01 3424 0.211E-01 0.153E+00 DAV: 5 -0.132530049976E+04 0.61549E-02 -0.12985E-01 3456 0.135E-01 0.665E-01 DAV: 6 -0.132530116917E+04 -0.66941E-03 -0.50849E-02 3264 0.103E-01 0.754E-01 DAV: 7 -0.132530010694E+04 0.10622E-02 -0.33467E-02 3488 0.849E-02 0.536E-01 DAV: 8 -0.132529905146E+04 0.10555E-02 -0.17262E-02 3232 0.662E-02 0.309E-01 DAV: 9 -0.132529884588E+04 0.20557E-03 -0.45030E-03 3040 0.329E-02 0.195E-01 DAV: 10 -0.132529876580E+04 0.80085E-04 -0.23355E-03 2880 0.197E-02 0.919E-02 DAV: 11 -0.132529876150E+04 0.42947E-05 -0.67455E-04 2400 0.120E-02 65 F= -.13468158E+04 E0= -.13467758E+04 d E =-.403643E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132526014090E+04 0.38625E-01 -0.36824E+01 2816 0.766E+00 0.196E+00 DAV: 2 -0.132542615251E+04 -0.16601E+00 -0.16810E+00 3264 0.121E+00 0.597E+00 DAV: 3 -0.132543692312E+04 -0.10771E-01 -0.32938E+00 3936 0.385E-01 0.568E+00 DAV: 4 -0.132535252239E+04 0.84401E-01 -0.77381E-01 3392 0.301E-01 0.240E+00 DAV: 5 -0.132533752053E+04 0.15002E-01 -0.27926E-01 3456 0.191E-01 0.839E-01 DAV: 6 -0.132533759055E+04 -0.70026E-04 -0.71456E-02 3488 0.147E-01 0.807E-01 DAV: 7 -0.132533980576E+04 -0.22152E-02 -0.84260E-02 3520 0.121E-01 0.116E+00 DAV: 8 -0.132533562921E+04 0.41766E-02 -0.67133E-02 3392 0.103E-01 0.656E-01 DAV: 9 -0.132533472498E+04 0.90423E-03 -0.89943E-03 3168 0.485E-02 0.248E-01 DAV: 10 -0.132533463460E+04 0.90380E-04 -0.35287E-03 3040 0.270E-02 0.133E-01 DAV: 11 -0.132533460367E+04 0.30920E-04 -0.11421E-03 2560 0.160E-02 0.751E-02 DAV: 12 -0.132533460515E+04 -0.14712E-05 -0.40141E-04 2304 0.988E-03 66 F= -.13468387E+04 E0= -.13467993E+04 d E =-.632526E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132534640246E+04 -0.11799E-01 -0.19004E+01 2816 0.549E+00 0.164E+00 DAV: 2 -0.132567970461E+04 -0.33330E+00 -0.36512E+00 3520 0.101E+00 0.764E+00 DAV: 3 -0.132539722702E+04 0.28248E+00 -0.23574E+00 3648 0.394E-01 0.285E+00 DAV: 4 -0.132541070309E+04 -0.13476E-01 -0.73509E-01 3424 0.247E-01 0.317E+00 DAV: 5 -0.132538802412E+04 0.22679E-01 -0.23267E-01 3392 0.149E-01 0.983E-01 DAV: 6 -0.132538448484E+04 0.35393E-02 -0.39160E-02 3072 0.112E-01 0.474E-01 DAV: 7 -0.132538590271E+04 -0.14179E-02 -0.34646E-02 3456 0.836E-02 0.730E-01 DAV: 8 -0.132538634506E+04 -0.44235E-03 -0.37986E-02 3392 0.807E-02 0.103E+00 DAV: 9 -0.132538440516E+04 0.19399E-02 -0.13153E-02 3008 0.427E-02 0.487E-01 DAV: 10 -0.132538407609E+04 0.32907E-03 -0.50165E-03 2848 0.241E-02 0.285E-01 DAV: 11 -0.132538390229E+04 0.17380E-03 -0.18322E-03 2624 0.159E-02 0.904E-02 DAV: 12 -0.132538398562E+04 -0.83333E-04 -0.86812E-04 2432 0.133E-02 67 F= -.13468753E+04 E0= -.13468359E+04 d E =-.365999E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132538000043E+04 0.39019E-02 -0.11522E+01 2816 0.427E+00 0.132E+00 DAV: 2 -0.132565008919E+04 -0.27009E+00 -0.29455E+00 3488 0.817E-01 0.726E+00 DAV: 3 -0.132540478733E+04 0.24530E+00 -0.17891E+00 3648 0.330E-01 0.186E+00 DAV: 4 -0.132541416219E+04 -0.93749E-02 -0.31297E-01 3328 0.187E-01 0.203E+00 DAV: 5 -0.132540440983E+04 0.97524E-02 -0.11764E-01 3360 0.116E-01 0.665E-01 DAV: 6 -0.132540287758E+04 0.15323E-02 -0.21754E-02 3168 0.860E-02 0.372E-01 DAV: 7 -0.132540370424E+04 -0.82666E-03 -0.19643E-02 3456 0.632E-02 0.594E-01 DAV: 8 -0.132540352938E+04 0.17486E-03 -0.24053E-02 3328 0.632E-02 0.711E-01 DAV: 9 -0.132540267748E+04 0.85189E-03 -0.76057E-03 2848 0.319E-02 0.294E-01 DAV: 10 -0.132540252879E+04 0.14869E-03 -0.25619E-03 2656 0.171E-02 0.159E-01 DAV: 11 -0.132540247055E+04 0.58239E-04 -0.58877E-04 2304 0.108E-02 68 F= -.13468837E+04 E0= -.13468439E+04 d E =-.450879E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132542036046E+04 -0.17832E-01 -0.15348E+01 2816 0.497E+00 0.155E+00 DAV: 2 -0.132583982530E+04 -0.41946E+00 -0.46938E+00 3488 0.984E-01 0.783E+00 DAV: 3 -0.132545080987E+04 0.38902E+00 -0.20582E+00 3648 0.420E-01 0.152E+00 DAV: 4 -0.132546626925E+04 -0.15459E-01 -0.43743E-01 3264 0.221E-01 0.204E+00 DAV: 5 -0.132545581124E+04 0.10458E-01 -0.15263E-01 3392 0.142E-01 0.103E+00 DAV: 6 -0.132545062099E+04 0.51903E-02 -0.62632E-02 3264 0.100E-01 0.812E-01 DAV: 7 -0.132545044819E+04 0.17280E-03 -0.50142E-02 3392 0.799E-02 0.649E-01 DAV: 8 -0.132544982465E+04 0.62354E-03 -0.21914E-02 3264 0.663E-02 0.402E-01 DAV: 9 -0.132544943073E+04 0.39392E-03 -0.11193E-02 3200 0.514E-02 0.325E-01 DAV: 10 -0.132544944589E+04 -0.15160E-04 -0.10114E-02 3040 0.314E-02 0.257E-01 DAV: 11 -0.132544912141E+04 0.32448E-03 -0.50650E-03 2688 0.195E-02 0.959E-02 DAV: 12 -0.132544907030E+04 0.51108E-04 -0.28546E-04 2368 0.922E-03 69 F= -.13469193E+04 E0= -.13468800E+04 d E =-.355140E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132540441818E+04 0.44703E-01 -0.45287E+01 2816 0.853E+00 0.262E+00 DAV: 2 -0.132623004584E+04 -0.82563E+00 -0.96671E+00 3520 0.164E+00 0.964E+00 DAV: 3 -0.132552635337E+04 0.70369E+00 -0.43527E+00 3680 0.678E-01 0.350E+00 DAV: 4 -0.132552606971E+04 0.28366E-03 -0.24833E+00 3232 0.331E-01 0.176E+00 DAV: 5 -0.132552089001E+04 0.51797E-02 -0.27786E-01 3360 0.266E-01 0.208E+00 DAV: 6 -0.132550404810E+04 0.16842E-01 -0.24232E-01 3296 0.186E-01 0.162E+00 DAV: 7 -0.132551983190E+04 -0.15784E-01 -0.36668E-01 3456 0.187E-01 0.327E+00 DAV: 8 -0.132549556862E+04 0.24263E-01 -0.18689E-01 3392 0.134E-01 0.871E-01 DAV: 9 -0.132549071621E+04 0.48524E-02 -0.27017E-02 3328 0.907E-02 0.376E-01 DAV: 10 -0.132549052041E+04 0.19581E-03 -0.16808E-02 3200 0.563E-02 0.299E-01 DAV: 11 -0.132548993199E+04 0.58841E-03 -0.46489E-03 3136 0.332E-02 0.106E-01 DAV: 12 -0.132548991913E+04 0.12862E-04 -0.99859E-04 2720 0.203E-02 70 F= -.13469409E+04 E0= -.13469024E+04 d E =-.571982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132549057874E+04 -0.64674E-03 -0.24961E+01 2816 0.632E+00 0.154E+00 DAV: 2 -0.132556446934E+04 -0.73891E-01 -0.78269E-01 3296 0.997E-01 0.236E+00 DAV: 3 -0.132560657109E+04 -0.42102E-01 -0.10111E+00 3904 0.333E-01 0.467E+00 DAV: 4 -0.132559150992E+04 0.15061E-01 -0.14761E+00 3328 0.210E-01 0.448E+00 DAV: 5 -0.132554265779E+04 0.48852E-01 -0.41913E-01 3392 0.190E-01 0.814E-01 DAV: 6 -0.132554358442E+04 -0.92663E-03 -0.45544E-02 3360 0.121E-01 0.759E-01 DAV: 7 -0.132554288100E+04 0.70341E-03 -0.32018E-02 3264 0.917E-02 0.458E-01 DAV: 8 -0.132554239708E+04 0.48393E-03 -0.19074E-02 3232 0.642E-02 0.344E-01 DAV: 9 -0.132554204679E+04 0.35029E-03 -0.77130E-03 3072 0.420E-02 0.208E-01 DAV: 10 -0.132554188308E+04 0.16371E-03 -0.16938E-03 2816 0.222E-02 0.620E-02 DAV: 11 -0.132554200338E+04 -0.12030E-03 -0.13886E-03 2624 0.120E-02 0.123E-01 DAV: 12 -0.132554189842E+04 0.10496E-03 -0.89590E-04 2176 0.907E-03 0.308E-02 DAV: 13 -0.132554190646E+04 -0.80344E-05 -0.79682E-05 2016 0.572E-03 71 F= -.13469786E+04 E0= -.13469404E+04 d E =-.376853E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132552702846E+04 0.14870E-01 -0.18377E+01 2816 0.542E+00 0.132E+00 DAV: 2 -0.132558298161E+04 -0.55953E-01 -0.58537E-01 3296 0.854E-01 0.225E+00 DAV: 3 -0.132565917250E+04 -0.76191E-01 -0.12534E+00 3776 0.295E-01 0.595E+00 DAV: 4 -0.132558296912E+04 0.76203E-01 -0.11643E+00 3392 0.200E-01 0.262E+00 DAV: 5 -0.132556663692E+04 0.16332E-01 -0.17233E-01 3424 0.159E-01 0.733E-01 DAV: 6 -0.132556592116E+04 0.71576E-03 -0.33433E-02 3360 0.101E-01 0.658E-01 DAV: 7 -0.132556571966E+04 0.20150E-03 -0.26253E-02 3136 0.787E-02 0.413E-01 DAV: 8 -0.132556504249E+04 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-0.132562257894E+04 0.59436E-02 -0.38213E-02 3200 0.839E-02 0.570E-01 DAV: 9 -0.132562223732E+04 0.34161E-03 -0.88057E-03 3104 0.492E-02 0.355E-01 DAV: 10 -0.132562206208E+04 0.17524E-03 -0.35434E-03 2880 0.258E-02 0.124E-01 DAV: 11 -0.132562210675E+04 -0.44671E-04 -0.14970E-03 2592 0.167E-02 0.131E-01 DAV: 12 -0.132562213150E+04 -0.24748E-04 -0.97115E-04 2304 0.118E-02 73 F= -.13470304E+04 E0= -.13469919E+04 d E =-.413168E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132562042020E+04 0.16866E-02 -0.81263E+00 2816 0.358E+00 0.113E+00 DAV: 2 -0.132587187905E+04 -0.25146E+00 -0.24916E+00 3424 0.682E-01 0.791E+00 DAV: 3 -0.132563467580E+04 0.23720E+00 -0.15308E+00 3744 0.286E-01 0.140E+00 DAV: 4 -0.132564530677E+04 -0.10631E-01 -0.25265E-01 3008 0.170E-01 0.121E+00 DAV: 5 -0.132563837908E+04 0.69277E-02 -0.77799E-02 3360 0.117E-01 0.684E-01 DAV: 6 -0.132563754322E+04 0.83587E-03 -0.24708E-02 3168 0.697E-02 0.652E-01 DAV: 7 -0.132563748627E+04 0.56944E-04 -0.16984E-02 3040 0.644E-02 0.541E-01 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-0.13883E-01 3008 0.636E-02 0.570E-01 DAV: 11 -0.132581932853E+04 0.93128E-03 -0.20167E-02 2944 0.590E-02 0.409E-01 DAV: 12 -0.132581887203E+04 0.45649E-03 -0.81794E-03 3008 0.365E-02 0.249E-01 DAV: 13 -0.132581901579E+04 -0.14375E-03 -0.54199E-03 2848 0.254E-02 0.263E-01 DAV: 14 -0.132581876807E+04 0.24772E-03 -0.18788E-03 2272 0.155E-02 0.467E-02 DAV: 15 -0.132581880638E+04 -0.38311E-04 -0.18740E-04 2112 0.102E-02 78 F= -.13471543E+04 E0= -.13471159E+04 d E =-.691169E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132581345006E+04 0.53180E-02 -0.34014E+01 2816 0.726E+00 0.203E+00 DAV: 2 -0.132627640501E+04 -0.46295E+00 -0.53169E+00 3424 0.130E+00 0.745E+00 DAV: 3 -0.132590680753E+04 0.36960E+00 -0.25025E+00 3648 0.490E-01 0.325E+00 DAV: 4 -0.132590600298E+04 0.80455E-03 -0.94977E-01 3328 0.294E-01 0.318E+00 DAV: 5 -0.132589015799E+04 0.15845E-01 -0.34136E-01 3456 0.178E-01 0.151E+00 DAV: 6 -0.132588178935E+04 0.83686E-02 -0.78368E-02 3392 0.158E-01 0.762E-01 DAV: 7 -0.132588124897E+04 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-0.132591177654E+04 0.16344E-02 -0.86432E-02 3392 0.134E-01 0.856E-01 DAV: 8 -0.132591202652E+04 -0.24998E-03 -0.37032E-02 3264 0.117E-01 0.105E+00 DAV: 9 -0.132591300541E+04 -0.97889E-03 -0.92405E-02 3712 0.934E-02 0.101E+00 DAV: 10 -0.132591087696E+04 0.21284E-02 -0.75463E-02 2944 0.531E-02 0.405E-01 DAV: 11 -0.132590954630E+04 0.13307E-02 -0.66700E-03 3136 0.377E-02 0.220E-01 DAV: 12 -0.132590948666E+04 0.59638E-04 -0.86920E-04 2464 0.199E-02 80 F= -.13472060E+04 E0= -.13471678E+04 d E =-.517010E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132588812295E+04 0.21423E-01 -0.88930E+00 2816 0.371E+00 0.106E+00 DAV: 2 -0.132610265284E+04 -0.21453E+00 -0.20910E+00 3456 0.680E-01 0.774E+00 DAV: 3 -0.132590529752E+04 0.19736E+00 -0.15591E+00 3616 0.276E-01 0.169E+00 DAV: 4 -0.132590923044E+04 -0.39329E-02 -0.15705E-01 3296 0.163E-01 0.105E+00 DAV: 5 -0.132590792149E+04 0.13089E-02 -0.66199E-02 3424 0.110E-01 0.933E-01 DAV: 6 -0.132590531233E+04 0.26092E-02 -0.26395E-02 3392 0.732E-02 0.314E-01 DAV: 7 -0.132590596424E+04 -0.65191E-03 -0.99805E-03 3264 0.570E-02 0.421E-01 DAV: 8 -0.132590547130E+04 0.49294E-03 -0.86652E-03 3232 0.468E-02 0.349E-01 DAV: 9 -0.132590523253E+04 0.23877E-03 -0.34130E-03 2784 0.286E-02 0.121E-01 DAV: 10 -0.132590528769E+04 -0.55163E-04 -0.28343E-03 2688 0.147E-02 0.121E-01 DAV: 11 -0.132590518105E+04 0.10664E-03 -0.58198E-04 2272 0.851E-03 0.357E-02 DAV: 12 -0.132590519328E+04 -0.12226E-04 -0.58704E-05 2016 0.580E-03 81 F= -.13472104E+04 E0= -.13471722E+04 d E =-.561043E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132588845146E+04 0.16730E-01 -0.37452E+01 2816 0.767E+00 0.169E+00 DAV: 2 -0.132598890482E+04 -0.10045E+00 -0.11233E+00 3200 0.117E+00 0.260E+00 DAV: 3 -0.132613850116E+04 -0.14960E+00 -0.27987E+00 3808 0.387E-01 0.648E+00 DAV: 4 -0.132597195365E+04 0.16655E+00 -0.10215E+00 3456 0.276E-01 0.154E+00 DAV: 5 -0.132597273824E+04 -0.78458E-03 -0.18928E-01 3264 0.184E-01 0.143E+00 DAV: 6 -0.132596612794E+04 0.66103E-02 -0.72308E-02 3488 0.131E-01 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-0.132608848294E+04 0.12714E-02 -0.21768E-02 3488 0.728E-02 0.403E-01 DAV: 7 -0.132608854591E+04 -0.62969E-04 -0.14478E-02 3232 0.549E-02 0.395E-01 DAV: 8 -0.132608805469E+04 0.49123E-03 -0.10546E-02 3168 0.427E-02 0.237E-01 DAV: 9 -0.132608796308E+04 0.91609E-04 -0.33209E-03 2816 0.255E-02 0.137E-01 DAV: 10 -0.132608795726E+04 0.58166E-05 -0.21722E-03 2592 0.131E-02 0.105E-01 DAV: 11 -0.132608787739E+04 0.79872E-04 -0.89347E-04 2080 0.897E-03 86 F= -.13473291E+04 E0= -.13472915E+04 d E =-.225656E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132609171573E+04 -0.37585E-02 -0.27167E+00 2816 0.211E+00 0.753E-01 DAV: 2 -0.132611937341E+04 -0.27658E-01 -0.29297E-01 3360 0.367E-01 0.299E+00 DAV: 3 -0.132611438941E+04 0.49840E-02 -0.60471E-01 3872 0.158E-01 0.271E+00 DAV: 4 -0.132610102399E+04 0.13365E-01 -0.21975E-01 3520 0.132E-01 0.891E-01 DAV: 5 -0.132609772645E+04 0.32975E-02 -0.33407E-02 3488 0.861E-02 0.493E-01 DAV: 6 -0.132609709105E+04 0.63541E-03 -0.14088E-02 3200 0.566E-02 0.311E-01 DAV: 7 -0.132609714796E+04 -0.56910E-04 -0.91794E-03 3296 0.436E-02 0.314E-01 DAV: 8 -0.132609678917E+04 0.35879E-03 -0.61168E-03 2976 0.328E-02 0.161E-01 DAV: 9 -0.132609674121E+04 0.47958E-04 -0.15357E-03 2784 0.182E-02 0.855E-02 DAV: 10 -0.132609674209E+04 -0.87745E-06 -0.69394E-04 2176 0.967E-03 87 F= -.13473344E+04 E0= -.13472972E+04 d E =-.279214E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132611134845E+04 -0.14607E-01 -0.59028E+00 2816 0.315E+00 0.875E-01 DAV: 2 -0.132612845483E+04 -0.17106E-01 -0.18739E-01 3264 0.482E-01 0.147E+00 DAV: 3 -0.132617789009E+04 -0.49435E-01 -0.83433E-01 4032 0.189E-01 0.437E+00 DAV: 4 -0.132612289429E+04 0.54996E-01 -0.38970E-01 3552 0.150E-01 0.705E-01 DAV: 5 -0.132612427138E+04 -0.13771E-02 -0.27588E-02 3552 0.878E-02 0.744E-01 DAV: 6 -0.132612350376E+04 0.76762E-03 -0.29694E-02 3296 0.615E-02 0.361E-01 DAV: 7 -0.132612376433E+04 -0.26057E-03 -0.21331E-02 3264 0.546E-02 0.528E-01 DAV: 8 -0.132612351909E+04 0.24524E-03 -0.19223E-02 3072 0.373E-02 0.438E-01 DAV: 9 -0.132612278252E+04 0.73657E-03 -0.37033E-03 2784 0.234E-02 0.161E-01 DAV: 10 -0.132612272501E+04 0.57506E-04 -0.63236E-04 2752 0.133E-02 88 F= -.13473565E+04 E0= -.13473193E+04 d E =-.220770E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132611407499E+04 0.87075E-02 -0.14282E+01 2816 0.490E+00 0.136E+00 DAV: 2 -0.132615481811E+04 -0.40743E-01 -0.43847E-01 3264 0.748E-01 0.216E+00 DAV: 3 -0.132626341849E+04 -0.10860E+00 -0.18915E+00 3904 0.293E-01 0.570E+00 DAV: 4 -0.132614839447E+04 0.11502E+00 -0.69042E-01 3680 0.219E-01 0.112E+00 DAV: 5 -0.132614618130E+04 0.22132E-02 -0.70971E-02 3648 0.140E-01 0.132E+00 DAV: 6 -0.132614265750E+04 0.35238E-02 -0.36095E-02 3200 0.935E-02 0.589E-01 DAV: 7 -0.132614441833E+04 -0.17608E-02 -0.47153E-02 3296 0.830E-02 0.992E-01 DAV: 8 -0.132614305456E+04 0.13638E-02 -0.35008E-02 3392 0.613E-02 0.604E-01 DAV: 9 -0.132614188094E+04 0.11736E-02 -0.20326E-02 3104 0.380E-02 0.285E-01 DAV: 10 -0.132614163734E+04 0.24360E-03 -0.29335E-03 2848 0.232E-02 0.123E-01 DAV: 11 -0.132614162580E+04 0.11539E-04 -0.74790E-04 2528 0.140E-02 89 F= -.13473693E+04 E0= -.13473317E+04 d E =-.348966E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132615626327E+04 -0.14626E-01 -0.40688E+00 2816 0.261E+00 0.743E-01 DAV: 2 -0.132617797825E+04 -0.21715E-01 -0.21790E-01 3424 0.436E-01 0.225E+00 DAV: 3 -0.132619741465E+04 -0.19436E-01 -0.58436E-01 3616 0.164E-01 0.398E+00 DAV: 4 -0.132616595374E+04 0.31461E-01 -0.43642E-01 3488 0.138E-01 0.101E+00 DAV: 5 -0.132616483194E+04 0.11218E-02 -0.35988E-02 3424 0.916E-02 0.513E-01 DAV: 6 -0.132616373306E+04 0.10989E-02 -0.13856E-02 3456 0.625E-02 0.213E-01 DAV: 7 -0.132616441725E+04 -0.68419E-03 -0.14537E-02 3040 0.417E-02 0.284E-01 DAV: 8 -0.132616396658E+04 0.45066E-03 -0.12375E-02 3040 0.323E-02 0.270E-01 DAV: 9 -0.132616369461E+04 0.27197E-03 -0.62004E-03 2976 0.256E-02 0.147E-01 DAV: 10 -0.132616361299E+04 0.81625E-04 -0.74334E-04 2464 0.127E-02 90 F= -.13473891E+04 E0= -.13473513E+04 d E =-.197431E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132615486673E+04 0.88279E-02 -0.15802E+01 2816 0.515E+00 0.146E+00 DAV: 2 -0.132626997701E+04 -0.11511E+00 -0.12134E+00 3456 0.863E-01 0.526E+00 DAV: 3 -0.132626391396E+04 0.60630E-02 -0.22617E+00 3776 0.315E-01 0.576E+00 DAV: 4 -0.132619945065E+04 0.64463E-01 -0.12805E+00 3616 0.254E-01 0.207E+00 DAV: 5 -0.132619092253E+04 0.85281E-02 -0.21575E-01 3520 0.178E-01 0.101E+00 DAV: 6 -0.132618414658E+04 0.67759E-02 -0.53777E-02 3616 0.125E-01 0.464E-01 DAV: 7 -0.132618453669E+04 -0.39010E-03 -0.19052E-02 3264 0.851E-02 0.525E-01 DAV: 8 -0.132618423961E+04 0.29708E-03 -0.26654E-02 3200 0.688E-02 0.543E-01 DAV: 9 -0.132618356864E+04 0.67097E-03 -0.79746E-03 3136 0.409E-02 0.286E-01 DAV: 10 -0.132618349758E+04 0.71062E-04 -0.40967E-03 2976 0.235E-02 0.188E-01 DAV: 11 -0.132618349164E+04 0.59361E-05 -0.40068E-03 2656 0.169E-02 0.128E-01 DAV: 12 -0.132618338017E+04 0.11147E-03 -0.11140E-03 2400 0.108E-02 0.810E-02 DAV: 13 -0.132618336285E+04 0.17324E-04 -0.17494E-04 2048 0.738E-03 91 F= -.13474044E+04 E0= -.13473664E+04 d E =-.350136E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132619447919E+04 -0.11099E-01 -0.42384E+00 2816 0.264E+00 0.750E-01 DAV: 2 -0.132621222906E+04 -0.17750E-01 -0.17034E-01 3488 0.437E-01 0.156E+00 DAV: 3 -0.132620602332E+04 0.62057E-02 -0.99478E-02 4000 0.151E-01 0.108E+00 DAV: 4 -0.132623082968E+04 -0.24806E-01 -0.36579E-01 3392 0.124E-01 0.328E+00 DAV: 5 -0.132620153886E+04 0.29291E-01 -0.23246E-01 3520 0.103E-01 0.405E-01 DAV: 6 -0.132620290915E+04 -0.13703E-02 -0.19434E-02 3200 0.626E-02 0.419E-01 DAV: 7 -0.132620291285E+04 -0.37052E-05 -0.14443E-02 3136 0.479E-02 0.354E-01 DAV: 8 -0.132620336130E+04 -0.44844E-03 -0.24359E-02 3072 0.394E-02 0.289E-01 DAV: 9 -0.132620238711E+04 0.97419E-03 -0.53223E-03 2752 0.250E-02 0.945E-02 DAV: 10 -0.132620236967E+04 0.17434E-04 -0.50579E-04 2624 0.132E-02 92 F= -.13474225E+04 E0= -.13473851E+04 d E =-.181184E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132619334513E+04 0.90420E-02 -0.11535E+01 2816 0.436E+00 0.124E+00 DAV: 2 -0.132624227752E+04 -0.48932E-01 -0.49195E-01 3424 0.718E-01 0.278E+00 DAV: 3 -0.132624631094E+04 -0.40334E-02 -0.58064E-01 4032 0.251E-01 0.351E+00 DAV: 4 -0.132624226972E+04 0.40412E-02 -0.89884E-01 3328 0.172E-01 0.326E+00 DAV: 5 -0.132621703858E+04 0.25231E-01 -0.25198E-01 3584 0.154E-01 0.808E-01 DAV: 6 -0.132621733903E+04 -0.30046E-03 -0.71205E-02 3520 0.107E-01 0.733E-01 DAV: 7 -0.132621543379E+04 0.19052E-02 -0.33555E-02 3168 0.752E-02 0.376E-01 DAV: 8 -0.132621697993E+04 -0.15461E-02 -0.41598E-02 3264 0.682E-02 0.375E-01 DAV: 9 -0.132621504167E+04 0.19383E-02 -0.10291E-02 3104 0.405E-02 0.200E-01 DAV: 10 -0.132621498495E+04 0.56724E-04 -0.14732E-03 2816 0.209E-02 0.121E-01 DAV: 11 -0.132621490822E+04 0.76725E-04 -0.58807E-04 2464 0.113E-02 93 F= -.13474335E+04 E0= -.13473963E+04 d E =-.291357E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132622525671E+04 -0.10272E-01 -0.45028E+00 2816 0.271E+00 0.697E-01 DAV: 2 -0.132628703816E+04 -0.61781E-01 -0.62075E-01 3456 0.458E-01 0.474E+00 DAV: 3 -0.132623835227E+04 0.48686E-01 -0.69781E-01 3776 0.172E-01 0.167E+00 DAV: 4 -0.132623724514E+04 0.11071E-02 -0.75813E-02 3456 0.117E-01 0.912E-01 DAV: 5 -0.132623414456E+04 0.31006E-02 -0.17735E-02 3424 0.828E-02 0.359E-01 DAV: 6 -0.132623377841E+04 0.36615E-03 -0.83454E-03 3232 0.487E-02 0.214E-01 DAV: 7 -0.132623421753E+04 -0.43912E-03 -0.93597E-03 3072 0.368E-02 0.339E-01 DAV: 8 -0.132623404257E+04 0.17496E-03 -0.15744E-02 3008 0.317E-02 0.210E-01 DAV: 9 -0.132623364516E+04 0.39741E-03 -0.23979E-03 2720 0.215E-02 0.812E-02 DAV: 10 -0.132623366387E+04 -0.18704E-04 -0.61077E-04 2528 0.117E-02 94 F= -.13474517E+04 E0= -.13474149E+04 d E =-.181627E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132620266311E+04 0.30982E-01 -0.28621E+01 2816 0.684E+00 0.178E+00 DAV: 2 -0.132658914376E+04 -0.38648E+00 -0.42415E+00 3424 0.118E+00 0.852E+00 DAV: 3 -0.132629243298E+04 0.29671E+00 -0.30287E+00 3872 0.444E-01 0.363E+00 DAV: 4 -0.132627898162E+04 0.13451E-01 -0.70882E-01 3616 0.276E-01 0.190E+00 DAV: 5 -0.132626281807E+04 0.16164E-01 -0.77187E-02 3552 0.203E-01 0.943E-01 DAV: 6 -0.132625756465E+04 0.52534E-02 -0.49405E-02 3520 0.119E-01 0.839E-01 DAV: 7 -0.132625689424E+04 0.67042E-03 -0.29324E-02 3104 0.972E-02 0.481E-01 DAV: 8 -0.132625686366E+04 0.30573E-04 -0.36801E-02 3456 0.773E-02 0.585E-01 DAV: 9 -0.132625552892E+04 0.13347E-02 -0.16487E-02 3296 0.479E-02 0.279E-01 DAV: 10 -0.132625543870E+04 0.90228E-04 -0.34513E-03 2816 0.235E-02 0.145E-01 DAV: 11 -0.132625539659E+04 0.42112E-04 -0.17839E-03 2400 0.138E-02 0.793E-02 DAV: 12 -0.132625538849E+04 0.80929E-05 -0.52247E-04 2176 0.997E-03 95 F= -.13474718E+04 E0= -.13474358E+04 d E =-.382901E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132626696607E+04 -0.11569E-01 -0.60058E+00 2816 0.312E+00 0.975E-01 DAV: 2 -0.132631994246E+04 -0.52976E-01 -0.54910E-01 3456 0.522E-01 0.413E+00 DAV: 3 -0.132629799712E+04 0.21945E-01 -0.90794E-01 3808 0.197E-01 0.286E+00 DAV: 4 -0.132628571068E+04 0.12286E-01 -0.21174E-01 3488 0.158E-01 0.131E+00 DAV: 5 -0.132627914230E+04 0.65684E-02 -0.53316E-02 3552 0.113E-01 0.528E-01 DAV: 6 -0.132627887880E+04 0.26349E-03 -0.16030E-02 3456 0.735E-02 0.416E-01 DAV: 7 -0.132627910675E+04 -0.22794E-03 -0.16771E-02 3136 0.617E-02 0.427E-01 DAV: 8 -0.132627845247E+04 0.65427E-03 -0.10034E-02 3328 0.480E-02 0.268E-01 DAV: 9 -0.132627842228E+04 0.30197E-04 -0.53565E-03 2944 0.243E-02 0.167E-01 DAV: 10 -0.132627825705E+04 0.16523E-03 -0.23745E-03 2592 0.128E-02 0.782E-02 DAV: 11 -0.132627823657E+04 0.20477E-04 -0.28453E-04 2016 0.795E-03 96 F= -.13474924E+04 E0= -.13474569E+04 d E =-.206629E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132627406646E+04 0.41906E-02 -0.79965E+00 2816 0.360E+00 0.112E+00 DAV: 2 -0.132633266973E+04 -0.58603E-01 -0.62017E-01 3456 0.595E-01 0.414E+00 DAV: 3 -0.132632033513E+04 0.12335E-01 -0.11378E+00 3840 0.222E-01 0.344E+00 DAV: 4 -0.132629855443E+04 0.21781E-01 -0.29326E-01 3616 0.182E-01 0.150E+00 DAV: 5 -0.132629044900E+04 0.81054E-02 -0.70810E-02 3552 0.129E-01 0.634E-01 DAV: 6 -0.132628998909E+04 0.45990E-03 -0.23668E-02 3552 0.858E-02 0.489E-01 DAV: 7 -0.132629007159E+04 -0.82502E-04 -0.23305E-02 3168 0.710E-02 0.469E-01 DAV: 8 -0.132628924797E+04 0.82362E-03 -0.12366E-02 3424 0.551E-02 0.313E-01 DAV: 9 -0.132628901452E+04 0.23345E-03 -0.27779E-03 2816 0.276E-02 0.104E-01 DAV: 10 -0.132628907500E+04 -0.60484E-04 -0.10377E-03 2624 0.119E-02 0.104E-01 DAV: 11 -0.132628901153E+04 0.63470E-04 -0.81303E-04 2080 0.732E-03 97 F= -.13475007E+04 E0= -.13474652E+04 d E =-.289073E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132629540017E+04 -0.63252E-02 -0.82772E+00 2816 0.363E+00 0.114E+00 DAV: 2 -0.132649054379E+04 -0.19514E+00 -0.20791E+00 3488 0.675E-01 0.663E+00 DAV: 3 -0.132630920528E+04 0.18134E+00 -0.14334E+00 3680 0.288E-01 0.142E+00 DAV: 4 -0.132633096122E+04 -0.21756E-01 -0.42124E-01 3232 0.171E-01 0.234E+00 DAV: 5 -0.132631501300E+04 0.15948E-01 -0.13836E-01 3520 0.117E-01 0.605E-01 DAV: 6 -0.132631039469E+04 0.46183E-02 -0.28211E-02 3200 0.707E-02 0.453E-01 DAV: 7 -0.132631042473E+04 -0.30042E-04 -0.15369E-02 3136 0.578E-02 0.406E-01 DAV: 8 -0.132631032048E+04 0.10425E-03 -0.73494E-03 3264 0.431E-02 0.247E-01 DAV: 9 -0.132631016214E+04 0.15834E-03 -0.55173E-03 2784 0.283E-02 0.181E-01 DAV: 10 -0.132631005445E+04 0.10769E-03 -0.20588E-03 2592 0.163E-02 0.980E-02 DAV: 11 -0.132631002147E+04 0.32979E-04 -0.50926E-04 2336 0.108E-02 98 F= -.13475194E+04 E0= -.13474844E+04 d E =-.186930E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132630467457E+04 0.53799E-02 -0.72560E+00 2816 0.340E+00 0.106E+00 DAV: 2 -0.132646894694E+04 -0.16427E+00 -0.17186E+00 3424 0.627E-01 0.627E+00 DAV: 3 -0.132631767690E+04 0.15127E+00 -0.12883E+00 3680 0.269E-01 0.151E+00 DAV: 4 -0.132633721692E+04 -0.19540E-01 -0.40221E-01 3264 0.165E-01 0.235E+00 DAV: 5 -0.132632102982E+04 0.16187E-01 -0.12446E-01 3520 0.115E-01 0.557E-01 DAV: 6 -0.132631773632E+04 0.32935E-02 -0.25494E-02 3328 0.665E-02 0.415E-01 DAV: 7 -0.132631779159E+04 -0.55270E-04 -0.11973E-02 3104 0.530E-02 0.336E-01 DAV: 8 -0.132631768687E+04 0.10472E-03 -0.65968E-03 3296 0.407E-02 0.224E-01 DAV: 9 -0.132631753494E+04 0.15194E-03 -0.25205E-03 2944 0.247E-02 0.100E-01 DAV: 10 -0.132631757684E+04 -0.41910E-04 -0.21071E-03 2624 0.152E-02 0.116E-01 DAV: 11 -0.132631749149E+04 0.85357E-04 -0.69157E-04 2176 0.907E-03 99 F= -.13475247E+04 E0= -.13474899E+04 d E =-.239847E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132632405419E+04 -0.64773E-02 -0.90725E+00 2816 0.383E+00 0.102E+00 DAV: 2 -0.132636430728E+04 -0.40253E-01 -0.46100E-01 3424 0.611E-01 0.258E+00 DAV: 3 -0.132637811723E+04 -0.13810E-01 -0.88857E-01 3872 0.225E-01 0.362E+00 DAV: 4 -0.132634938243E+04 0.28735E-01 -0.43746E-01 3488 0.165E-01 0.156E+00 DAV: 5 -0.132634140033E+04 0.79821E-02 -0.44012E-02 3648 0.121E-01 0.540E-01 DAV: 6 -0.132634222487E+04 -0.82454E-03 -0.38642E-02 3424 0.770E-02 0.588E-01 DAV: 7 -0.132634103062E+04 0.11942E-02 -0.20891E-02 3328 0.597E-02 0.323E-01 DAV: 8 -0.132634147058E+04 -0.43996E-03 -0.17606E-02 3456 0.490E-02 0.346E-01 DAV: 9 -0.132634064241E+04 0.82817E-03 -0.57674E-03 2816 0.263E-02 0.161E-01 DAV: 10 -0.132634060647E+04 0.35939E-04 -0.12340E-03 2752 0.143E-02 0.617E-02 DAV: 11 -0.132634060002E+04 0.64491E-05 -0.37124E-04 2272 0.853E-03 100 F= -.13475453E+04 E0= -.13475110E+04 d E =-.206724E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132632990149E+04 0.10705E-01 -0.12384E+01 2816 0.447E+00 0.119E+00 DAV: 2 -0.132638600124E+04 -0.56100E-01 -0.65105E-01 3424 0.713E-01 0.307E+00 DAV: 3 -0.132640591302E+04 -0.19912E-01 -0.12656E+00 3808 0.263E-01 0.414E+00 DAV: 4 -0.132636268986E+04 0.43223E-01 -0.52171E-01 3584 0.195E-01 0.156E+00 DAV: 5 -0.132635379145E+04 0.88984E-02 -0.49963E-02 3648 0.139E-01 0.640E-01 DAV: 6 -0.132635502111E+04 -0.12297E-02 -0.58803E-02 3456 0.894E-02 0.670E-01 DAV: 7 -0.132635295526E+04 0.20658E-02 -0.24210E-02 3360 0.680E-02 0.328E-01 DAV: 8 -0.132635288106E+04 0.74197E-04 -0.85787E-03 3360 0.541E-02 0.347E-01 DAV: 9 -0.132635257509E+04 0.30597E-03 -0.39286E-03 2976 0.283E-02 0.824E-02 DAV: 10 -0.132635260151E+04 -0.26415E-04 -0.10849E-03 2624 0.133E-02 0.722E-02 DAV: 11 -0.132635258466E+04 0.16846E-04 -0.71794E-04 2272 0.798E-03 101 F= -.13475544E+04 E0= -.13475206E+04 d E =-.297536E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132636070640E+04 -0.81049E-02 -0.78198E+00 2816 0.358E+00 0.140E+00 DAV: 2 -0.132675802144E+04 -0.39732E+00 -0.43009E+00 3424 0.767E-01 0.871E+00 DAV: 3 -0.132637638362E+04 0.38164E+00 -0.21087E+00 3936 0.385E-01 0.172E+00 DAV: 4 -0.132638002748E+04 -0.36439E-02 -0.33598E-01 3072 0.188E-01 0.100E+00 DAV: 5 -0.132637480217E+04 0.52253E-02 -0.63893E-02 3392 0.125E-01 0.568E-01 DAV: 6 -0.132637469644E+04 0.10573E-03 -0.15874E-02 3584 0.805E-02 0.678E-01 DAV: 7 -0.132637397323E+04 0.72321E-03 -0.15085E-02 3424 0.606E-02 0.496E-01 DAV: 8 -0.132637318331E+04 0.78992E-03 -0.91929E-03 3296 0.481E-02 0.220E-01 DAV: 9 -0.132637322730E+04 -0.43988E-04 -0.23718E-03 3040 0.278E-02 0.157E-01 DAV: 10 -0.132637314485E+04 0.82452E-04 -0.22602E-03 2560 0.130E-02 0.877E-02 DAV: 11 -0.132637309569E+04 0.49157E-04 -0.63008E-04 2208 0.963E-03 102 F= -.13475714E+04 E0= -.13475372E+04 d E =-.170131E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132637411562E+04 -0.97078E-03 -0.12956E+00 2816 0.145E+00 0.611E-01 DAV: 2 -0.132649032010E+04 -0.11620E+00 -0.11589E+00 3424 0.336E-01 0.626E+00 DAV: 3 -0.132637319282E+04 0.11713E+00 -0.92258E-01 3648 0.195E-01 0.766E-01 DAV: 4 -0.132637744085E+04 -0.42480E-02 -0.65603E-02 2880 0.874E-02 0.497E-01 DAV: 5 -0.132637650714E+04 0.93370E-03 -0.19326E-02 3104 0.549E-02 0.275E-01 DAV: 6 -0.132637638645E+04 0.12070E-03 -0.92156E-03 3040 0.355E-02 0.242E-01 DAV: 7 -0.132637620499E+04 0.18146E-03 -0.24348E-03 2784 0.261E-02 0.164E-01 DAV: 8 -0.132637612012E+04 0.84870E-04 -0.19121E-03 2560 0.210E-02 0.970E-02 DAV: 9 -0.132637611006E+04 0.10055E-04 -0.97540E-04 2304 0.126E-02 103 F= -.13475730E+04 E0= -.13475385E+04 d E =-.185962E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132638877026E+04 -0.12650E-01 -0.67288E+00 2816 0.330E+00 0.836E-01 DAV: 2 -0.132649943290E+04 -0.11066E+00 -0.11130E+00 3456 0.557E-01 0.587E+00 DAV: 3 -0.132640117828E+04 0.98255E-01 -0.98167E-01 3840 0.213E-01 0.118E+00 DAV: 4 -0.132640564532E+04 -0.44670E-02 -0.12412E-01 3200 0.128E-01 0.956E-01 DAV: 5 -0.132640128090E+04 0.43644E-02 -0.51792E-02 3520 0.922E-02 0.392E-01 DAV: 6 -0.132640162184E+04 -0.34094E-03 -0.18084E-02 3520 0.581E-02 0.288E-01 DAV: 7 -0.132640161551E+04 0.63289E-05 -0.15942E-02 3200 0.460E-02 0.360E-01 DAV: 8 -0.132640105141E+04 0.56411E-03 -0.14007E-02 3232 0.366E-02 0.180E-01 DAV: 9 -0.132640092989E+04 0.12151E-03 -0.20397E-03 2752 0.199E-02 0.197E-01 DAV: 10 -0.132640083197E+04 0.97922E-04 -0.34310E-04 2336 0.120E-02 104 F= -.13475911E+04 E0= -.13475565E+04 d E =-.180982E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132639773119E+04 0.31987E-02 -0.10993E+01 2816 0.422E+00 0.106E+00 DAV: 2 -0.132655805545E+04 -0.16032E+00 -0.16712E+00 3424 0.708E-01 0.653E+00 DAV: 3 -0.132642197676E+04 0.13608E+00 -0.13656E+00 3840 0.265E-01 0.163E+00 DAV: 4 -0.132642633482E+04 -0.43581E-02 -0.25217E-01 3232 0.163E-01 0.120E+00 DAV: 5 -0.132641893388E+04 0.74009E-02 -0.77273E-02 3488 0.119E-01 0.629E-01 DAV: 6 -0.132641898224E+04 -0.48360E-04 -0.24759E-02 3616 0.702E-02 0.532E-01 DAV: 7 -0.132641977688E+04 -0.79465E-03 -0.65009E-02 3200 0.648E-02 0.470E-01 DAV: 8 -0.132641838470E+04 0.13922E-02 -0.81872E-03 3584 0.548E-02 0.406E-01 DAV: 9 -0.132641771705E+04 0.66765E-03 -0.40758E-03 2912 0.306E-02 0.195E-01 DAV: 10 -0.132641765127E+04 0.65778E-04 -0.12417E-03 2720 0.207E-02 0.145E-01 DAV: 11 -0.132641761075E+04 0.40521E-04 -0.43861E-04 2304 0.107E-02 105 F= -.13475994E+04 E0= -.13475636E+04 d E =-.263611E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132642991866E+04 -0.12267E-01 -0.70080E+00 2816 0.342E+00 0.143E+00 DAV: 2 -0.132681873659E+04 -0.38882E+00 -0.43541E+00 3520 0.778E-01 0.834E+00 DAV: 3 -0.132643788937E+04 0.38085E+00 -0.18537E+00 3776 0.384E-01 0.143E+00 DAV: 4 -0.132646359921E+04 -0.25710E-01 -0.50168E-01 3200 0.190E-01 0.288E+00 DAV: 5 -0.132644757298E+04 0.16026E-01 -0.35662E-01 3392 0.160E-01 0.122E+00 DAV: 6 -0.132644121345E+04 0.63595E-02 -0.44066E-02 3296 0.779E-02 0.342E-01 DAV: 7 -0.132644196826E+04 -0.75481E-03 -0.13543E-02 3104 0.514E-02 0.502E-01 DAV: 8 -0.132644131211E+04 0.65615E-03 -0.10130E-02 3072 0.399E-02 0.204E-01 DAV: 9 -0.132644120220E+04 0.10991E-03 -0.29845E-03 2848 0.281E-02 0.113E-01 DAV: 10 -0.132644119667E+04 0.55304E-05 -0.13282E-03 2752 0.171E-02 0.850E-02 DAV: 11 -0.132644117911E+04 0.17557E-04 -0.77401E-04 2144 0.105E-02 106 F= -.13476163E+04 E0= -.13475804E+04 d E =-.169302E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132644376070E+04 -0.25640E-02 -0.14936E+00 2880 0.158E+00 0.668E-01 DAV: 2 -0.132655040544E+04 -0.10664E+00 -0.10611E+00 3552 0.359E-01 0.547E+00 DAV: 3 -0.132644242423E+04 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-0.132646048920E+04 0.10319E-01 -0.60651E-02 3552 0.898E-02 0.369E-01 DAV: 6 -0.132646086101E+04 -0.37180E-03 -0.49359E-03 3232 0.486E-02 0.236E-01 DAV: 7 -0.132646116873E+04 -0.30772E-03 -0.72652E-03 3008 0.363E-02 0.285E-01 DAV: 8 -0.132646113841E+04 0.30326E-04 -0.61401E-03 3072 0.262E-02 0.234E-01 DAV: 9 -0.132646095137E+04 0.18704E-03 -0.56401E-03 2560 0.186E-02 0.130E-01 DAV: 10 -0.132646089417E+04 0.57202E-04 -0.12385E-03 2464 0.147E-02 0.853E-02 DAV: 11 -0.132646086555E+04 0.28612E-04 -0.55070E-04 2144 0.962E-03 108 F= -.13476291E+04 E0= -.13475938E+04 d E =-.109539E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132646217014E+04 -0.12760E-02 -0.34177E+00 2816 0.240E+00 0.830E-01 DAV: 2 -0.132654541800E+04 -0.83248E-01 -0.78318E-01 3456 0.447E-01 0.490E+00 DAV: 3 -0.132646868826E+04 0.76730E-01 -0.69765E-01 3744 0.197E-01 0.128E+00 DAV: 4 -0.132648144506E+04 -0.12757E-01 -0.25004E-01 3360 0.135E-01 0.207E+00 DAV: 5 -0.132646810240E+04 0.13343E-01 -0.81180E-02 3584 0.100E-01 0.416E-01 DAV: 6 -0.132646849880E+04 -0.39641E-03 -0.69857E-03 3264 0.549E-02 0.271E-01 DAV: 7 -0.132646908961E+04 -0.59081E-03 -0.13563E-02 3040 0.414E-02 0.340E-01 DAV: 8 -0.132646870352E+04 0.38609E-03 -0.78720E-03 3008 0.286E-02 0.264E-01 DAV: 9 -0.132646850836E+04 0.19516E-03 -0.34096E-03 2592 0.183E-02 0.159E-01 DAV: 10 -0.132646844473E+04 0.63625E-04 -0.79246E-04 2304 0.117E-02 109 F= -.13476328E+04 E0= -.13475977E+04 d E =-.146222E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132647715803E+04 -0.86497E-02 -0.21644E+00 2816 0.190E+00 0.494E-01 DAV: 2 -0.132648392819E+04 -0.67702E-02 -0.74760E-02 3424 0.293E-01 0.926E-01 DAV: 3 -0.132649720339E+04 -0.13275E-01 -0.21469E-01 3904 0.109E-01 0.266E+00 DAV: 4 -0.132648223344E+04 0.14970E-01 -0.18214E-01 3200 0.898E-02 0.718E-01 DAV: 5 -0.132648145870E+04 0.77474E-03 -0.23182E-02 3296 0.601E-02 0.241E-01 DAV: 6 -0.132648166372E+04 -0.20502E-03 -0.12253E-02 3008 0.356E-02 0.233E-01 DAV: 7 -0.132648133739E+04 0.32633E-03 -0.61935E-03 2880 0.290E-02 0.167E-01 DAV: 8 -0.132648123608E+04 0.10131E-03 -0.21598E-03 2816 0.259E-02 0.109E-01 DAV: 9 -0.132648119844E+04 0.37638E-04 -0.51857E-04 2496 0.150E-02 110 F= -.13476424E+04 E0= -.13476071E+04 d E =-.955158E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132648134719E+04 -0.11111E-03 -0.67374E+00 2816 0.336E+00 0.867E-01 DAV: 2 -0.132649863925E+04 -0.17292E-01 -0.19476E-01 3392 0.512E-01 0.110E+00 DAV: 3 -0.132654403401E+04 -0.45395E-01 -0.56096E-01 4032 0.191E-01 0.444E+00 DAV: 4 -0.132649914820E+04 0.44886E-01 -0.58784E-01 3424 0.149E-01 0.145E+00 DAV: 5 -0.132649443772E+04 0.47105E-02 -0.77642E-02 3392 0.104E-01 0.395E-01 DAV: 6 -0.132649520818E+04 -0.77045E-03 -0.33802E-02 3328 0.649E-02 0.388E-01 DAV: 7 -0.132649417356E+04 0.10346E-02 -0.15487E-02 3040 0.503E-02 0.271E-01 DAV: 8 -0.132649396582E+04 0.20774E-03 -0.64566E-03 3200 0.445E-02 0.191E-01 DAV: 9 -0.132649388299E+04 0.82830E-04 -0.18525E-03 2816 0.265E-02 0.119E-01 DAV: 10 -0.132649382140E+04 0.61585E-04 -0.13591E-03 2560 0.144E-02 0.866E-02 DAV: 11 -0.132649377366E+04 0.47742E-04 -0.22162E-04 2144 0.106E-02 111 F= -.13476492E+04 E0= -.13476139E+04 d E =-.164074E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132650437873E+04 -0.10557E-01 -0.36531E+00 2816 0.245E+00 0.705E-01 DAV: 2 -0.132652998780E+04 -0.25609E-01 -0.25741E-01 3168 0.396E-01 0.280E+00 DAV: 3 -0.132651934521E+04 0.10643E-01 -0.41363E-01 3872 0.139E-01 0.184E+00 DAV: 4 -0.132651584687E+04 0.34983E-02 -0.56373E-02 3232 0.113E-01 0.986E-01 DAV: 5 -0.132651167981E+04 0.41671E-02 -0.20949E-02 3648 0.773E-02 0.351E-01 DAV: 6 -0.132651198901E+04 -0.30920E-03 -0.87502E-03 2880 0.486E-02 0.280E-01 DAV: 7 -0.132651193488E+04 0.54131E-04 -0.58800E-03 3072 0.375E-02 0.244E-01 DAV: 8 -0.132651205017E+04 -0.11529E-03 -0.98111E-03 3008 0.268E-02 0.205E-01 DAV: 9 -0.132651168743E+04 0.36275E-03 -0.30956E-03 2560 0.178E-02 0.698E-02 DAV: 10 -0.132651170796E+04 -0.20526E-04 -0.56410E-04 2336 0.111E-02 112 F= -.13476617E+04 E0= -.13476267E+04 d E =-.124719E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132651448951E+04 -0.28021E-02 -0.24771E+00 2880 0.202E+00 0.641E-01 DAV: 2 -0.132653670150E+04 -0.22212E-01 -0.21800E-01 3200 0.331E-01 0.274E+00 DAV: 3 -0.132652390469E+04 0.12797E-01 -0.33319E-01 3744 0.123E-01 0.148E+00 DAV: 4 -0.132652260417E+04 0.13005E-02 -0.37815E-02 3136 0.998E-02 0.836E-01 DAV: 5 -0.132651945898E+04 0.31452E-02 -0.14888E-02 3712 0.676E-02 0.296E-01 DAV: 6 -0.132651972085E+04 -0.26187E-03 -0.67006E-03 2784 0.428E-02 0.247E-01 DAV: 7 -0.132651949616E+04 0.22469E-03 -0.24637E-03 2944 0.309E-02 0.129E-01 DAV: 8 -0.132651961138E+04 -0.11522E-03 -0.30399E-03 2624 0.189E-02 0.135E-01 DAV: 9 -0.132651944946E+04 0.16192E-03 -0.16556E-03 2528 0.108E-02 0.403E-02 DAV: 10 -0.132651944759E+04 0.18653E-05 -0.11257E-04 2048 0.718E-03 113 F= -.13476649E+04 E0= -.13476296E+04 d E =-.156729E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132652923003E+04 -0.97806E-02 -0.46083E+00 2880 0.273E+00 0.888E-01 DAV: 2 -0.132658807045E+04 -0.58840E-01 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-0.132657255711E+04 -0.93312E-02 -0.13860E-01 3104 0.951E-02 0.209E+00 DAV: 5 -0.132656229479E+04 0.10262E-01 -0.11566E-01 3264 0.760E-02 0.547E-01 DAV: 6 -0.132656230842E+04 -0.13631E-04 -0.14840E-02 3104 0.495E-02 0.298E-01 DAV: 7 -0.132656221407E+04 0.94348E-04 -0.99724E-03 3072 0.354E-02 0.258E-01 DAV: 8 -0.132656229425E+04 -0.80174E-04 -0.10221E-02 2912 0.289E-02 0.215E-01 DAV: 9 -0.132656189601E+04 0.39824E-03 -0.30829E-03 2624 0.201E-02 0.819E-02 DAV: 10 -0.132656189182E+04 0.41848E-05 -0.48910E-04 2464 0.115E-02 116 F= -.13476901E+04 E0= -.13476559E+04 d E =-.105621E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132655990730E+04 0.19887E-02 -0.88015E+00 2816 0.377E+00 0.108E+00 DAV: 2 -0.132660444944E+04 -0.44542E-01 -0.42651E-01 3552 0.641E-01 0.269E+00 DAV: 3 -0.132658265240E+04 0.21797E-01 -0.26634E-01 3904 0.230E-01 0.142E+00 DAV: 4 -0.132662304258E+04 -0.40390E-01 -0.63126E-01 3488 0.174E-01 0.380E+00 DAV: 5 -0.132657650753E+04 0.46535E-01 -0.34712E-01 3488 0.137E-01 0.612E-01 DAV: 6 -0.132657859942E+04 -0.20919E-02 -0.62786E-02 3136 0.799E-02 0.572E-01 DAV: 7 -0.132657633800E+04 0.22614E-02 -0.20456E-02 3008 0.558E-02 0.275E-01 DAV: 8 -0.132657676723E+04 -0.42923E-03 -0.87860E-03 3136 0.489E-02 0.369E-01 DAV: 9 -0.132657657872E+04 0.18851E-03 -0.92365E-03 2976 0.329E-02 0.252E-01 DAV: 10 -0.132657623835E+04 0.34036E-03 -0.26187E-03 2784 0.183E-02 0.636E-02 DAV: 11 -0.132657624845E+04 -0.10095E-04 -0.24426E-04 2176 0.102E-02 117 F= -.13476963E+04 E0= -.13476626E+04 d E =-.168347E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132658366637E+04 -0.74280E-02 -0.54683E+00 2816 0.292E+00 0.988E-01 DAV: 2 -0.132677526790E+04 -0.19160E+00 -0.20555E+00 3552 0.599E-01 0.619E+00 DAV: 3 -0.132659038058E+04 0.18489E+00 -0.10567E+00 3680 0.268E-01 0.610E-01 DAV: 4 -0.132659741974E+04 -0.70392E-02 -0.35593E-02 3040 0.123E-01 0.896E-01 DAV: 5 -0.132659437827E+04 0.30415E-02 -0.28155E-02 3616 0.837E-02 0.490E-01 DAV: 6 -0.132659408401E+04 0.29426E-03 -0.10945E-02 3232 0.519E-02 0.276E-01 DAV: 7 -0.132659488816E+04 -0.80415E-03 -0.13331E-02 3232 0.437E-02 0.409E-01 DAV: 8 -0.132659425797E+04 0.63019E-03 -0.13381E-02 2976 0.311E-02 0.247E-01 DAV: 9 -0.132659410386E+04 0.15411E-03 -0.71215E-03 2816 0.249E-02 0.198E-01 DAV: 10 -0.132659399821E+04 0.10564E-03 -0.17723E-03 2624 0.171E-02 0.133E-01 DAV: 11 -0.132659397849E+04 0.19722E-04 -0.14908E-03 2400 0.121E-02 0.124E-01 DAV: 12 -0.132659394228E+04 0.36213E-04 -0.34934E-04 2176 0.874E-03 118 F= -.13477084E+04 E0= -.13476745E+04 d E =-.120424E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132659568217E+04 -0.17037E-02 -0.30207E+00 2816 0.217E+00 0.774E-01 DAV: 2 -0.132671535303E+04 -0.11967E+00 -0.12423E+00 3584 0.448E-01 0.536E+00 DAV: 3 -0.132659819915E+04 0.11715E+00 -0.73687E-01 3744 0.207E-01 0.473E-01 DAV: 4 -0.132660416135E+04 -0.59622E-02 -0.27101E-02 3104 0.972E-02 0.819E-01 DAV: 5 -0.132660207751E+04 0.20838E-02 -0.39662E-02 3520 0.676E-02 0.412E-01 DAV: 6 -0.132660142175E+04 0.65576E-03 -0.10553E-02 3072 0.456E-02 0.214E-01 DAV: 7 -0.132660233224E+04 -0.91049E-03 -0.15231E-02 3264 0.399E-02 0.493E-01 DAV: 8 -0.132660134161E+04 0.99063E-03 -0.54159E-03 2944 0.262E-02 0.207E-01 DAV: 9 -0.132660127976E+04 0.61855E-04 -0.11210E-03 2656 0.141E-02 0.812E-02 DAV: 10 -0.132660128064E+04 -0.87912E-06 -0.49606E-04 2272 0.901E-03 119 F= -.13477115E+04 E0= -.13476775E+04 d E =-.151505E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132660876586E+04 -0.74861E-02 -0.30023E+00 2816 0.223E+00 0.604E-01 DAV: 2 -0.132663575755E+04 -0.26992E-01 -0.21939E-01 3456 0.370E-01 0.278E+00 DAV: 3 -0.132661987508E+04 0.15882E-01 -0.28806E-01 3616 0.131E-01 0.160E+00 DAV: 4 -0.132661982929E+04 0.45787E-04 -0.16744E-01 3520 0.104E-01 0.116E+00 DAV: 5 -0.132661477123E+04 0.50581E-02 -0.34630E-02 3584 0.757E-02 0.300E-01 DAV: 6 -0.132661510663E+04 -0.33539E-03 -0.10686E-02 3104 0.404E-02 0.281E-01 DAV: 7 -0.132661532934E+04 -0.22271E-03 -0.15208E-02 3040 0.332E-02 0.297E-01 DAV: 8 -0.132661478222E+04 0.54711E-03 -0.49112E-03 2880 0.251E-02 0.192E-01 DAV: 9 -0.132661476336E+04 0.18861E-04 -0.16097E-03 2592 0.201E-02 0.120E-01 DAV: 10 -0.132661470202E+04 0.61340E-04 -0.51726E-04 2624 0.105E-02 120 F= -.13477222E+04 E0= -.13476884E+04 d E =-.107320E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132661425726E+04 0.50610E-03 -0.40750E+00 2816 0.260E+00 0.707E-01 DAV: 2 -0.132664926834E+04 -0.35011E-01 -0.30042E-01 3456 0.429E-01 0.313E+00 DAV: 3 -0.132662973366E+04 0.19535E-01 -0.39374E-01 3744 0.151E-01 0.190E+00 DAV: 4 -0.132662960388E+04 0.12978E-03 -0.23802E-01 3488 0.122E-01 0.142E+00 DAV: 5 -0.132662234788E+04 0.72560E-02 -0.45102E-02 3616 0.893E-02 0.373E-01 DAV: 6 -0.132662256676E+04 -0.21888E-03 -0.10664E-02 3264 0.492E-02 0.302E-01 DAV: 7 -0.132662240953E+04 0.15723E-03 -0.59751E-03 3104 0.374E-02 0.213E-01 DAV: 8 -0.132662237122E+04 0.38306E-04 -0.24422E-03 2944 0.311E-02 0.167E-01 DAV: 9 -0.132662234767E+04 0.23556E-04 -0.13256E-03 2848 0.169E-02 0.109E-01 DAV: 10 -0.132662231956E+04 0.28106E-04 -0.11699E-03 2240 0.839E-03 0.777E-02 DAV: 11 -0.132662229176E+04 0.27803E-04 -0.19967E-04 1952 0.574E-03 121 F= -.13477266E+04 E0= -.13476926E+04 d E =-.151540E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132662955319E+04 -0.72336E-02 -0.19234E+00 2816 0.178E+00 0.480E-01 DAV: 2 -0.132664148927E+04 -0.11936E-01 -0.13008E-01 3552 0.300E-01 0.155E+00 DAV: 3 -0.132664081529E+04 0.67399E-03 -0.23082E-01 3744 0.112E-01 0.175E+00 DAV: 4 -0.132663468733E+04 0.61280E-02 -0.81103E-02 3328 0.764E-02 0.697E-01 DAV: 5 -0.132663355257E+04 0.11348E-02 -0.94738E-03 3200 0.555E-02 0.255E-01 DAV: 6 -0.132663370453E+04 -0.15197E-03 -0.10152E-02 3040 0.315E-02 0.228E-01 DAV: 7 -0.132663342461E+04 0.27992E-03 -0.47322E-03 2816 0.258E-02 0.158E-01 DAV: 8 -0.132663342052E+04 0.40909E-05 -0.25163E-03 2848 0.218E-02 0.124E-01 DAV: 9 -0.132663334322E+04 0.77302E-04 -0.11272E-03 2400 0.128E-02 0.653E-02 DAV: 10 -0.132663332873E+04 0.14486E-04 -0.26752E-04 2112 0.783E-03 122 F= -.13477352E+04 E0= -.13477014E+04 d E =-.856368E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132661688894E+04 0.16454E-01 -0.17272E+01 2816 0.532E+00 0.147E+00 DAV: 2 -0.132671916380E+04 -0.10227E+00 -0.11622E+00 3488 0.894E-01 0.427E+00 DAV: 3 -0.132671653224E+04 0.26316E-02 -0.19251E+00 3744 0.332E-01 0.452E+00 DAV: 4 -0.132665982156E+04 0.56711E-01 -0.61068E-01 3488 0.209E-01 0.157E+00 DAV: 5 -0.132665268807E+04 0.71335E-02 -0.56261E-02 3328 0.154E-01 0.755E-01 DAV: 6 -0.132665515192E+04 -0.24638E-02 -0.10227E-01 3360 0.966E-02 0.621E-01 DAV: 7 -0.132665137281E+04 0.37791E-02 -0.18003E-02 3200 0.717E-02 0.500E-01 DAV: 8 -0.132665116063E+04 0.21218E-03 -0.11473E-02 3296 0.502E-02 0.411E-01 DAV: 9 -0.132665049285E+04 0.66778E-03 -0.63836E-03 3008 0.340E-02 0.123E-01 DAV: 10 -0.132665056419E+04 -0.71337E-04 -0.10442E-03 2880 0.183E-02 0.941E-02 DAV: 11 -0.132665057088E+04 -0.66878E-05 -0.14615E-03 2368 0.105E-02 0.807E-02 DAV: 12 -0.132665052109E+04 0.49784E-04 -0.45981E-04 2304 0.827E-03 123 F= -.13477449E+04 E0= -.13477116E+04 d E =-.182711E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132665439976E+04 -0.38289E-02 -0.43326E+00 2816 0.265E+00 0.655E-01 DAV: 2 -0.132667855412E+04 -0.24154E-01 -0.26528E-01 3424 0.427E-01 0.239E+00 DAV: 3 -0.132667418974E+04 0.43644E-02 -0.40812E-01 3776 0.146E-01 0.207E+00 DAV: 4 -0.132666650474E+04 0.76850E-02 -0.79761E-02 3456 0.110E-01 0.920E-01 DAV: 5 -0.132666316092E+04 0.33438E-02 -0.14085E-02 3456 0.798E-02 0.273E-01 DAV: 6 -0.132666377219E+04 -0.61127E-03 -0.13955E-02 3200 0.503E-02 0.339E-01 DAV: 7 -0.132666337733E+04 0.39487E-03 -0.12723E-02 3136 0.375E-02 0.264E-01 DAV: 8 -0.132666342441E+04 -0.47080E-04 -0.95469E-03 3008 0.315E-02 0.240E-01 DAV: 9 -0.132666307322E+04 0.35119E-03 -0.26688E-03 2624 0.188E-02 0.120E-01 DAV: 10 -0.132666304773E+04 0.25489E-04 -0.66811E-04 2656 0.117E-02 124 F= -.13477542E+04 E0= -.13477213E+04 d E =-.931763E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132666132053E+04 0.17527E-02 -0.42217E+00 2816 0.262E+00 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2624 0.112E-02 0.592E-02 DAV: 10 -0.132674802709E+04 0.92964E-05 -0.95966E-05 2016 0.698E-03 132 F= -.13478123E+04 E0= -.13477801E+04 d E =-.760969E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132674193016E+04 0.61062E-02 -0.94567E+00 2816 0.384E+00 0.109E+00 DAV: 2 -0.132681483083E+04 -0.72901E-01 -0.79804E-01 3456 0.629E-01 0.431E+00 DAV: 3 -0.132678608901E+04 0.28742E-01 -0.11457E+00 3712 0.237E-01 0.313E+00 DAV: 4 -0.132676731261E+04 0.18776E-01 -0.17476E-01 3648 0.169E-01 0.131E+00 DAV: 5 -0.132676053087E+04 0.67817E-02 -0.34310E-02 3552 0.123E-01 0.456E-01 DAV: 6 -0.132676258597E+04 -0.20551E-02 -0.47702E-02 3520 0.835E-02 0.630E-01 DAV: 7 -0.132675981966E+04 0.27663E-02 -0.23568E-02 3168 0.600E-02 0.241E-01 DAV: 8 -0.132675986018E+04 -0.40516E-04 -0.31975E-03 3008 0.376E-02 0.201E-01 DAV: 9 -0.132676003318E+04 -0.17300E-03 -0.48639E-03 2848 0.216E-02 0.235E-01 DAV: 10 -0.132675973666E+04 0.29652E-03 -0.33665E-03 2464 0.151E-02 0.989E-02 DAV: 11 -0.132675972276E+04 0.13903E-04 -0.44373E-04 2368 0.107E-02 133 F= -.13478183E+04 E0= -.13477862E+04 d E =-.136244E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132676546647E+04 -0.57298E-02 -0.46744E+00 2816 0.269E+00 0.706E-01 DAV: 2 -0.132678357678E+04 -0.18110E-01 -0.19548E-01 3328 0.418E-01 0.173E+00 DAV: 3 -0.132679219412E+04 -0.86173E-02 -0.35986E-01 3648 0.142E-01 0.261E+00 DAV: 4 -0.132677815611E+04 0.14038E-01 -0.23819E-01 3264 0.125E-01 0.100E+00 DAV: 5 -0.132677484325E+04 0.33129E-02 -0.36712E-02 3360 0.735E-02 0.274E-01 DAV: 6 -0.132677572713E+04 -0.88388E-03 -0.11465E-02 3104 0.468E-02 0.429E-01 DAV: 7 -0.132677559370E+04 0.13343E-03 -0.30045E-02 3008 0.328E-02 0.291E-01 DAV: 8 -0.132677496777E+04 0.62593E-03 -0.33039E-03 3008 0.302E-02 0.197E-01 DAV: 9 -0.132677486484E+04 0.10294E-03 -0.13443E-03 2976 0.191E-02 0.167E-01 DAV: 10 -0.132677477661E+04 0.88232E-04 -0.33708E-04 2464 0.116E-02 134 F= -.13478296E+04 E0= -.13477971E+04 d E =-.112364E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132677307750E+04 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-0.132679700441E+04 0.11437E+00 -0.79996E-01 3616 0.238E-01 0.941E-01 DAV: 4 -0.132680632244E+04 -0.93180E-02 -0.18231E-01 3072 0.128E-01 0.772E-01 DAV: 5 -0.132679974067E+04 0.65818E-02 -0.42217E-02 3264 0.835E-02 0.639E-01 DAV: 6 -0.132679832753E+04 0.14131E-02 -0.26184E-02 3520 0.575E-02 0.453E-01 DAV: 7 -0.132679864211E+04 -0.31458E-03 -0.18488E-02 3264 0.544E-02 0.454E-01 DAV: 8 -0.132679810159E+04 0.54052E-03 -0.88211E-03 3072 0.413E-02 0.267E-01 DAV: 9 -0.132679790217E+04 0.19942E-03 -0.30242E-03 3008 0.263E-02 0.101E-01 DAV: 10 -0.132679786493E+04 0.37240E-04 -0.73083E-04 2624 0.144E-02 136 F= -.13478434E+04 E0= -.13478105E+04 d E =-.105702E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132679617216E+04 0.17300E-02 -0.52551E+00 2816 0.281E+00 0.892E-01 DAV: 2 -0.132688427551E+04 -0.88103E-01 -0.84898E-01 3456 0.507E-01 0.461E+00 DAV: 3 -0.132680700698E+04 0.77269E-01 -0.62720E-01 3616 0.210E-01 0.111E+00 DAV: 4 -0.132681593928E+04 -0.89323E-02 -0.19826E-01 3328 0.133E-01 0.115E+00 DAV: 5 -0.132680897541E+04 0.69639E-02 -0.63203E-02 3456 0.898E-02 0.689E-01 DAV: 6 -0.132680699990E+04 0.19755E-02 -0.29618E-02 3328 0.633E-02 0.429E-01 DAV: 7 -0.132680734807E+04 -0.34817E-03 -0.27262E-02 3168 0.494E-02 0.369E-01 DAV: 8 -0.132680660701E+04 0.74105E-03 -0.86193E-03 3072 0.388E-02 0.294E-01 DAV: 9 -0.132680645384E+04 0.15317E-03 -0.31418E-03 3072 0.231E-02 0.187E-01 DAV: 10 -0.132680632904E+04 0.12480E-03 -0.10631E-03 2720 0.137E-02 0.469E-02 DAV: 11 -0.132680633458E+04 -0.55351E-05 -0.90815E-05 1984 0.743E-03 137 F= -.13478469E+04 E0= -.13478138E+04 d E =-.140135E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132681153833E+04 -0.52093E-02 -0.90018E+00 2816 0.364E+00 0.113E+00 DAV: 2 -0.132696052644E+04 -0.14899E+00 -0.15249E+00 3456 0.657E-01 0.651E+00 DAV: 3 -0.132682863742E+04 0.13189E+00 -0.13924E+00 3680 0.286E-01 0.171E+00 DAV: 4 -0.132685470876E+04 -0.26071E-01 -0.55772E-01 3488 0.180E-01 0.272E+00 DAV: 5 -0.132683090737E+04 0.23801E-01 -0.19724E-01 3456 0.135E-01 0.625E-01 DAV: 6 -0.132682904958E+04 0.18578E-02 -0.35591E-02 3488 0.784E-02 0.545E-01 DAV: 7 -0.132682953769E+04 -0.48812E-03 -0.42447E-02 3072 0.548E-02 0.407E-01 DAV: 8 -0.132682840939E+04 0.11283E-02 -0.11173E-02 3136 0.471E-02 0.384E-01 DAV: 9 -0.132682814728E+04 0.26211E-03 -0.57697E-03 3136 0.333E-02 0.326E-01 DAV: 10 -0.132682787788E+04 0.26940E-03 -0.24210E-03 2944 0.217E-02 0.139E-01 DAV: 11 -0.132682785221E+04 0.25668E-04 -0.42520E-04 2592 0.130E-02 138 F= -.13478614E+04 E0= -.13478293E+04 d E =-.145603E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132682398960E+04 0.38883E-02 -0.78840E+00 2816 0.340E+00 0.107E+00 DAV: 2 -0.132696794031E+04 -0.14395E+00 -0.14675E+00 3456 0.622E-01 0.645E+00 DAV: 3 -0.132683685134E+04 0.13109E+00 -0.13036E+00 3776 0.277E-01 0.144E+00 DAV: 4 -0.132686128442E+04 -0.24433E-01 -0.45659E-01 3456 0.168E-01 0.245E+00 DAV: 5 -0.132684231208E+04 0.18972E-01 -0.18207E-01 3456 0.125E-01 0.620E-01 DAV: 6 -0.132683874836E+04 0.35637E-02 -0.33305E-02 3552 0.712E-02 0.420E-01 DAV: 7 -0.132683917490E+04 -0.42654E-03 -0.18910E-02 3104 0.552E-02 0.385E-01 DAV: 8 -0.132683849666E+04 0.67824E-03 -0.10783E-02 3232 0.427E-02 0.295E-01 DAV: 9 -0.132683838924E+04 0.10742E-03 -0.31355E-03 2976 0.269E-02 0.217E-01 DAV: 10 -0.132683823032E+04 0.15893E-03 -0.15216E-03 2880 0.171E-02 0.769E-02 DAV: 11 -0.132683823279E+04 -0.24723E-05 -0.24863E-04 2112 0.954E-03 139 F= -.13478652E+04 E0= -.13478338E+04 d E =-.183896E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132684466515E+04 -0.64348E-02 -0.38493E+00 2816 0.237E+00 0.586E-01 DAV: 2 -0.132685785919E+04 -0.13194E-01 -0.11952E-01 3264 0.370E-01 0.116E+00 DAV: 3 -0.132685762356E+04 0.23563E-03 -0.96733E-02 3808 0.119E-01 0.117E+00 DAV: 4 -0.132686455438E+04 -0.69308E-02 -0.19729E-01 3232 0.971E-02 0.194E+00 DAV: 5 -0.132685191196E+04 0.12642E-01 -0.11206E-01 3232 0.810E-02 0.315E-01 DAV: 6 -0.132685268599E+04 -0.77403E-03 -0.12128E-02 3136 0.454E-02 0.296E-01 DAV: 7 -0.132685276424E+04 -0.78253E-04 -0.11716E-02 3232 0.380E-02 0.324E-01 DAV: 8 -0.132685233435E+04 0.42989E-03 -0.71037E-03 2944 0.265E-02 0.177E-01 DAV: 9 -0.132685219972E+04 0.13463E-03 -0.18845E-03 2720 0.181E-02 0.824E-02 DAV: 10 -0.132685219054E+04 0.91778E-05 -0.18818E-04 2432 0.880E-03 140 F= -.13478741E+04 E0= -.13478426E+04 d E =-.889100E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132682717437E+04 0.25025E-01 -0.23837E+01 2816 0.589E+00 0.146E+00 DAV: 2 -0.132690384227E+04 -0.76668E-01 -0.71701E-01 3232 0.912E-01 0.294E+00 DAV: 3 -0.132691479446E+04 -0.10952E-01 -0.65307E-01 3904 0.291E-01 0.332E+00 DAV: 4 -0.132693035134E+04 -0.15557E-01 -0.12636E+00 3392 0.231E-01 0.382E+00 DAV: 5 -0.132687575617E+04 0.54595E-01 -0.43564E-01 3520 0.190E-01 0.792E-01 DAV: 6 -0.132687485715E+04 0.89902E-03 -0.50881E-02 3392 0.107E-01 0.615E-01 DAV: 7 -0.132687552131E+04 -0.66416E-03 -0.29384E-02 3360 0.859E-02 0.502E-01 DAV: 8 -0.132687515569E+04 0.36563E-03 -0.25266E-02 3712 0.730E-02 0.571E-01 DAV: 9 -0.132687421104E+04 0.94464E-03 -0.19520E-02 2944 0.347E-02 0.272E-01 DAV: 10 -0.132687383098E+04 0.38006E-03 -0.37363E-03 2912 0.257E-02 0.873E-02 DAV: 11 -0.132687382202E+04 0.89622E-05 -0.39041E-04 2848 0.124E-02 141 F= -.13478831E+04 E0= -.13478518E+04 d E =-.178698E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132688302876E+04 -0.91978E-02 -0.25385E+00 2816 0.195E+00 0.698E-01 DAV: 2 -0.132693109742E+04 -0.48069E-01 -0.34723E-01 3392 0.362E-01 0.362E+00 DAV: 3 -0.132689294703E+04 0.38150E-01 -0.54998E-01 3808 0.164E-01 0.146E+00 DAV: 4 -0.132689077702E+04 0.21700E-02 -0.92988E-02 3264 0.106E-01 0.965E-01 DAV: 5 -0.132688819248E+04 0.25845E-02 -0.16203E-02 3392 0.788E-02 0.294E-01 DAV: 6 -0.132688931321E+04 -0.11207E-02 -0.16114E-02 3360 0.421E-02 0.516E-01 DAV: 7 -0.132688857227E+04 0.74094E-03 -0.27799E-02 2880 0.295E-02 0.275E-01 DAV: 8 -0.132688819805E+04 0.37421E-03 -0.42605E-03 2816 0.277E-02 0.184E-01 DAV: 9 -0.132688807870E+04 0.11935E-03 -0.17688E-03 2880 0.187E-02 0.117E-01 DAV: 10 -0.132688799209E+04 0.86607E-04 -0.40181E-04 2208 0.919E-03 142 F= -.13478932E+04 E0= -.13478614E+04 d E =-.100355E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132689053732E+04 -0.24586E-02 -0.29552E+00 2816 0.210E+00 0.759E-01 DAV: 2 -0.132694753754E+04 -0.57000E-01 -0.44790E-01 3456 0.393E-01 0.386E+00 DAV: 3 -0.132690324626E+04 0.44291E-01 -0.66534E-01 3808 0.178E-01 0.167E+00 DAV: 4 -0.132689889667E+04 0.43496E-02 -0.11148E-01 3328 0.115E-01 0.992E-01 DAV: 5 -0.132689639761E+04 0.24991E-02 -0.14470E-02 3360 0.826E-02 0.316E-01 DAV: 6 -0.132689770102E+04 -0.13034E-02 -0.16530E-02 3392 0.461E-02 0.553E-01 DAV: 7 -0.132689706444E+04 0.63658E-03 -0.35493E-02 3040 0.315E-02 0.326E-01 DAV: 8 -0.132689641302E+04 0.65142E-03 -0.58256E-03 2912 0.306E-02 0.194E-01 DAV: 9 -0.132689630751E+04 0.10551E-03 -0.20509E-03 2912 0.209E-02 0.130E-01 DAV: 10 -0.132689619642E+04 0.11109E-03 -0.56798E-04 2432 0.110E-02 0.560E-02 DAV: 11 -0.132689618409E+04 0.12335E-04 -0.78559E-05 1920 0.587E-03 143 F= -.13478969E+04 E0= -.13478646E+04 d E =-.137542E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132690394286E+04 -0.77464E-02 -0.21885E+00 2816 0.182E+00 0.554E-01 DAV: 2 -0.132692983089E+04 -0.25888E-01 -0.21167E-01 3392 0.314E-01 0.266E+00 DAV: 3 -0.132691004441E+04 0.19786E-01 -0.21733E-01 3584 0.125E-01 0.104E+00 DAV: 4 -0.132691287959E+04 -0.28352E-02 -0.10561E-01 3424 0.909E-02 0.978E-01 DAV: 5 -0.132690818728E+04 0.46923E-02 -0.31632E-02 3488 0.605E-02 0.253E-01 DAV: 6 -0.132690898361E+04 -0.79632E-03 -0.10553E-02 3232 0.360E-02 0.427E-01 DAV: 7 -0.132690829981E+04 0.68379E-03 -0.16800E-02 2976 0.312E-02 0.185E-01 DAV: 8 -0.132690815685E+04 0.14296E-03 -0.26527E-03 2912 0.272E-02 0.168E-01 DAV: 9 -0.132690808140E+04 0.75459E-04 -0.10336E-03 2816 0.163E-02 0.108E-01 DAV: 10 -0.132690804745E+04 0.33950E-04 -0.37737E-04 2240 0.850E-03 144 F= -.13479057E+04 E0= -.13478738E+04 d E =-.887540E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132690920531E+04 -0.11239E-02 -0.39585E+00 2816 0.244E+00 0.752E-01 DAV: 2 -0.132695685708E+04 -0.47652E-01 -0.40204E-01 3392 0.425E-01 0.353E+00 DAV: 3 -0.132692005953E+04 0.36798E-01 -0.37845E-01 3584 0.171E-01 0.137E+00 DAV: 4 -0.132692590341E+04 -0.58439E-02 -0.20008E-01 3520 0.125E-01 0.142E+00 DAV: 5 -0.132691712349E+04 0.87799E-02 -0.61145E-02 3552 0.817E-02 0.377E-01 DAV: 6 -0.132691817849E+04 -0.10550E-02 -0.20475E-02 3456 0.485E-02 0.570E-01 DAV: 7 -0.132691707982E+04 0.10987E-02 -0.31947E-02 2944 0.416E-02 0.243E-01 DAV: 8 -0.132691689281E+04 0.18701E-03 -0.47445E-03 3072 0.372E-02 0.259E-01 DAV: 9 -0.132691671039E+04 0.18242E-03 -0.22158E-03 2976 0.234E-02 0.177E-01 DAV: 10 -0.132691661877E+04 0.91617E-04 -0.90962E-04 2688 0.127E-02 145 F= -.13479103E+04 E0= -.13478788E+04 d E =-.134259E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132692523502E+04 -0.85246E-02 -0.24893E+00 2816 0.194E+00 0.929E-01 DAV: 2 -0.132708426698E+04 -0.15903E+00 -0.16535E+00 3584 0.465E-01 0.692E+00 DAV: 3 -0.132692187670E+04 0.16239E+00 -0.13420E+00 3936 0.268E-01 0.791E-01 DAV: 4 -0.132693823130E+04 -0.16355E-01 -0.20302E-01 3072 0.122E-01 0.891E-01 DAV: 5 -0.132693610233E+04 0.21290E-02 -0.91918E-02 3456 0.856E-02 0.122E+00 DAV: 6 -0.132692965417E+04 0.64482E-02 -0.62604E-02 3296 0.648E-02 0.403E-01 DAV: 7 -0.132692911791E+04 0.53626E-03 -0.66422E-03 3168 0.362E-02 0.234E-01 DAV: 8 -0.132692904284E+04 0.75069E-04 -0.33013E-03 2976 0.230E-02 0.171E-01 DAV: 9 -0.132692908110E+04 -0.38264E-04 -0.29106E-03 2720 0.203E-02 0.140E-01 DAV: 10 -0.132692898075E+04 0.10036E-03 -0.10557E-03 2752 0.165E-02 0.665E-02 DAV: 11 -0.132692896954E+04 0.11210E-04 -0.16483E-04 2272 0.849E-03 146 F= -.13479190E+04 E0= -.13478877E+04 d E =-.867077E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132693168391E+04 -0.27032E-02 -0.31330E+00 2816 0.218E+00 0.104E+00 DAV: 2 -0.132711249953E+04 -0.18082E+00 -0.18980E+00 3616 0.510E-01 0.736E+00 DAV: 3 -0.132692830312E+04 0.18420E+00 -0.15399E+00 3936 0.287E-01 0.812E-01 DAV: 4 -0.132694723462E+04 -0.18931E-01 -0.22458E-01 3040 0.137E-01 0.964E-01 DAV: 5 -0.132694490987E+04 0.23247E-02 -0.11358E-01 3520 0.943E-02 0.138E+00 DAV: 6 -0.132693706570E+04 0.78442E-02 -0.79593E-02 3328 0.711E-02 0.427E-01 DAV: 7 -0.132693659711E+04 0.46858E-03 -0.99128E-03 3008 0.431E-02 0.244E-01 DAV: 8 -0.132693651589E+04 0.81216E-04 -0.38817E-03 3040 0.285E-02 0.185E-01 DAV: 9 -0.132693650247E+04 0.13428E-04 -0.35351E-03 2848 0.210E-02 0.147E-01 DAV: 10 -0.132693638540E+04 0.11706E-03 -0.12949E-03 2720 0.142E-02 0.634E-02 DAV: 11 -0.132693638635E+04 -0.94464E-06 -0.17288E-04 2016 0.701E-03 147 F= -.13479223E+04 E0= -.13478916E+04 d E =-.119577E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132694379464E+04 -0.74092E-02 -0.25961E+00 2816 0.199E+00 0.563E-01 DAV: 2 -0.132695287440E+04 -0.90798E-02 -0.89931E-02 3488 0.324E-01 0.921E-01 DAV: 3 -0.132695100847E+04 0.18659E-02 -0.46920E-02 3968 0.109E-01 0.691E-01 DAV: 4 -0.132694946138E+04 0.15471E-02 -0.92066E-03 3456 0.640E-02 0.444E-01 DAV: 5 -0.132695066736E+04 -0.12060E-02 -0.29206E-02 3232 0.447E-02 0.821E-01 DAV: 6 -0.132694969701E+04 0.97034E-03 -0.27065E-02 3200 0.428E-02 0.425E-01 DAV: 7 -0.132694966323E+04 0.33790E-04 -0.20364E-02 3104 0.355E-02 0.295E-01 DAV: 8 -0.132694895421E+04 0.70901E-03 -0.65765E-03 2784 0.265E-02 0.128E-01 DAV: 9 -0.132694892216E+04 0.32046E-04 -0.12810E-03 2688 0.179E-02 0.588E-02 DAV: 10 -0.132694890367E+04 0.18499E-04 -0.21473E-04 2240 0.806E-03 148 F= -.13479304E+04 E0= -.13478995E+04 d E =-.818238E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132695051004E+04 -0.15879E-02 -0.29706E+00 2816 0.213E+00 0.600E-01 DAV: 2 -0.132696012492E+04 -0.96149E-02 -0.98400E-02 3456 0.345E-01 0.910E-01 DAV: 3 -0.132695933175E+04 0.79317E-03 -0.66637E-02 4000 0.116E-01 0.871E-01 DAV: 4 -0.132696240476E+04 -0.30730E-02 -0.10087E-01 3424 0.823E-02 0.146E+00 DAV: 5 -0.132695662082E+04 0.57839E-02 -0.61114E-02 3456 0.611E-02 0.416E-01 DAV: 6 -0.132695706163E+04 -0.44081E-03 -0.12986E-02 3104 0.462E-02 0.356E-01 DAV: 7 -0.132695692119E+04 0.14044E-03 -0.11743E-02 3232 0.388E-02 0.298E-01 DAV: 8 -0.132695684525E+04 0.75932E-04 -0.13329E-02 2752 0.259E-02 0.212E-01 DAV: 9 -0.132695643718E+04 0.40807E-03 -0.22584E-03 2816 0.189E-02 0.690E-02 DAV: 10 -0.132695641517E+04 0.22012E-04 -0.27703E-04 2432 0.953E-03 149 F= -.13479333E+04 E0= -.13479023E+04 d E =-.110571E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132696372069E+04 -0.72835E-02 -0.26578E+00 2816 0.199E+00 0.595E-01 DAV: 2 -0.132698942060E+04 -0.25700E-01 -0.18941E-01 3328 0.338E-01 0.253E+00 DAV: 3 -0.132697372344E+04 0.15697E-01 -0.32277E-01 3840 0.134E-01 0.131E+00 DAV: 4 -0.132697205811E+04 0.16653E-02 -0.77566E-02 3456 0.933E-02 0.904E-01 DAV: 5 -0.132696897919E+04 0.30789E-02 -0.13226E-02 3648 0.686E-02 0.223E-01 DAV: 6 -0.132696931924E+04 -0.34005E-03 -0.42845E-03 3136 0.360E-02 0.238E-01 DAV: 7 -0.132696952713E+04 -0.20789E-03 -0.11974E-02 2976 0.246E-02 0.236E-01 DAV: 8 -0.132696907205E+04 0.45507E-03 -0.25983E-03 2688 0.217E-02 0.115E-01 DAV: 9 -0.132696904137E+04 0.30680E-04 -0.47037E-04 2624 0.141E-02 150 F= -.13479414E+04 E0= -.13479103E+04 d E =-.808147E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132696998468E+04 -0.91263E-03 -0.44269E+00 2816 0.257E+00 0.773E-01 DAV: 2 -0.132700965043E+04 -0.39666E-01 -0.32247E-01 3328 0.434E-01 0.301E+00 DAV: 3 -0.132698821416E+04 0.21436E-01 -0.54081E-01 3840 0.171E-01 0.177E+00 DAV: 4 -0.132698351545E+04 0.46987E-02 -0.13090E-01 3520 0.121E-01 0.119E+00 DAV: 5 -0.132697894837E+04 0.45671E-02 -0.21789E-02 3744 0.911E-02 0.340E-01 DAV: 6 -0.132697927926E+04 -0.33089E-03 -0.86952E-03 3392 0.499E-02 0.320E-01 DAV: 7 -0.132697968480E+04 -0.40554E-03 -0.21378E-02 3104 0.347E-02 0.307E-01 DAV: 8 -0.132697887221E+04 0.81259E-03 -0.48883E-03 2816 0.277E-02 0.171E-01 DAV: 9 -0.132697888693E+04 -0.14720E-04 -0.16086E-03 2912 0.201E-02 0.129E-01 DAV: 10 -0.132697878497E+04 0.10196E-03 -0.74411E-04 2592 0.110E-02 0.536E-02 DAV: 11 -0.132697877478E+04 0.10189E-04 -0.15548E-04 2016 0.675E-03 151 F= -.13479453E+04 E0= -.13479138E+04 d E =-.119499E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132698648226E+04 -0.76973E-02 -0.35968E+00 2816 0.235E+00 0.641E-01 DAV: 2 -0.132700961989E+04 -0.23138E-01 -0.19682E-01 3392 0.384E-01 0.224E+00 DAV: 3 -0.132700044942E+04 0.91705E-02 -0.24995E-01 3488 0.139E-01 0.166E+00 DAV: 4 -0.132700116038E+04 -0.71096E-03 -0.19886E-01 3424 0.112E-01 0.130E+00 DAV: 5 -0.132699351050E+04 0.76499E-02 -0.50460E-02 3584 0.760E-02 0.301E-01 DAV: 6 -0.132699440809E+04 -0.89759E-03 -0.12868E-02 3264 0.444E-02 0.468E-01 DAV: 7 -0.132699383579E+04 0.57230E-03 -0.22937E-02 3104 0.382E-02 0.256E-01 DAV: 8 -0.132699356411E+04 0.27169E-03 -0.61828E-03 2976 0.343E-02 0.251E-01 DAV: 9 -0.132699335163E+04 0.21248E-03 -0.22977E-03 2944 0.219E-02 0.148E-01 DAV: 10 -0.132699329436E+04 0.57264E-04 -0.58596E-04 2624 0.118E-02 152 F= -.13479551E+04 E0= -.13479246E+04 d E =-.981001E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132699462485E+04 -0.12732E-02 -0.36148E+00 2816 0.236E+00 0.651E-01 DAV: 2 -0.132702140654E+04 -0.26782E-01 -0.22657E-01 3392 0.390E-01 0.247E+00 DAV: 3 -0.132700721793E+04 0.14189E-01 -0.26213E-01 3616 0.144E-01 0.152E+00 DAV: 4 -0.132700934265E+04 -0.21247E-02 -0.18461E-01 3456 0.111E-01 0.130E+00 DAV: 5 -0.132700167137E+04 0.76713E-02 -0.50572E-02 3520 0.755E-02 0.297E-01 DAV: 6 -0.132700257562E+04 -0.90425E-03 -0.13462E-02 3296 0.439E-02 0.469E-01 DAV: 7 -0.132700201364E+04 0.56199E-03 -0.23418E-02 3072 0.393E-02 0.260E-01 DAV: 8 -0.132700168196E+04 0.33168E-03 -0.59728E-03 2944 0.342E-02 0.235E-01 DAV: 9 -0.132700149327E+04 0.18868E-03 -0.20658E-03 2848 0.208E-02 0.139E-01 DAV: 10 -0.132700144209E+04 0.51177E-04 -0.52392E-04 2624 0.113E-02 153 F= -.13479585E+04 E0= -.13479285E+04 d E =-.132372E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132700724697E+04 -0.57537E-02 -0.50865E+00 2816 0.275E+00 0.994E-01 DAV: 2 -0.132712937846E+04 -0.12213E+00 -0.12169E+00 3520 0.544E-01 0.624E+00 DAV: 3 -0.132701439731E+04 0.11498E+00 -0.11981E+00 3712 0.256E-01 0.137E+00 DAV: 4 -0.132703428783E+04 -0.19891E-01 -0.36794E-01 3520 0.155E-01 0.218E+00 DAV: 5 -0.132701870266E+04 0.15585E-01 -0.15385E-01 3552 0.114E-01 0.580E-01 DAV: 6 -0.132701688754E+04 0.18151E-02 -0.28601E-02 3552 0.643E-02 0.385E-01 DAV: 7 -0.132701717222E+04 -0.28467E-03 -0.16003E-02 2912 0.385E-02 0.312E-01 DAV: 8 -0.132701658415E+04 0.58807E-03 -0.74586E-03 2752 0.310E-02 0.224E-01 DAV: 9 -0.132701650555E+04 0.78596E-04 -0.30208E-03 2944 0.244E-02 0.178E-01 DAV: 10 -0.132701645913E+04 0.46420E-04 -0.12519E-03 2880 0.174E-02 0.688E-02 DAV: 11 -0.132701644638E+04 0.12744E-04 -0.30237E-04 2272 0.951E-03 154 F= -.13479676E+04 E0= -.13479377E+04 d E =-.913089E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132701812100E+04 -0.16619E-02 -0.10642E+00 2816 0.126E+00 0.464E-01 DAV: 2 -0.132704434947E+04 -0.26228E-01 -0.14135E-01 3552 0.251E-01 0.294E+00 DAV: 3 -0.132702071814E+04 0.23631E-01 -0.17384E-01 3680 0.122E-01 0.929E-01 DAV: 4 -0.132702198194E+04 -0.12638E-02 -0.74376E-02 3296 0.718E-02 0.743E-01 DAV: 5 -0.132702011451E+04 0.18674E-02 -0.17611E-02 3200 0.502E-02 0.207E-01 DAV: 6 -0.132702009087E+04 0.23645E-04 -0.35803E-03 2880 0.271E-02 0.145E-01 DAV: 7 -0.132702010760E+04 -0.16735E-04 -0.18894E-03 2912 0.179E-02 0.118E-01 DAV: 8 -0.132702016101E+04 -0.53409E-04 -0.24702E-03 2624 0.126E-02 0.124E-01 DAV: 9 -0.132702004963E+04 0.11138E-03 -0.10562E-03 2400 0.105E-02 0.576E-02 DAV: 10 -0.132702004508E+04 0.45550E-05 -0.10616E-04 1984 0.684E-03 155 F= -.13479685E+04 E0= -.13479386E+04 d E =-.100477E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132702500761E+04 -0.49580E-02 -0.52476E+00 2816 0.279E+00 0.752E-01 DAV: 2 -0.132703673925E+04 -0.11732E-01 -0.12978E-01 3200 0.427E-01 0.523E-01 DAV: 3 -0.132706926526E+04 -0.32526E-01 -0.31832E-01 3840 0.152E-01 0.331E+00 DAV: 4 -0.132703515709E+04 0.34108E-01 -0.30359E-01 3776 0.118E-01 0.514E-01 DAV: 5 -0.132703680751E+04 -0.16504E-02 -0.36255E-02 2944 0.552E-02 0.339E-01 DAV: 6 -0.132703667228E+04 0.13523E-03 -0.19929E-02 3040 0.504E-02 0.455E-01 DAV: 7 -0.132703591536E+04 0.75692E-03 -0.16949E-02 3360 0.414E-02 0.223E-01 DAV: 8 -0.132703577888E+04 0.13648E-03 -0.14457E-03 2816 0.216E-02 0.167E-01 DAV: 9 -0.132703563726E+04 0.14162E-03 -0.90921E-04 2816 0.160E-02 0.820E-02 DAV: 10 -0.132703561425E+04 0.23008E-04 -0.34957E-04 2272 0.975E-03 156 F= -.13479777E+04 E0= -.13479472E+04 d E =-.914713E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132703704287E+04 -0.14056E-02 -0.19494E+00 2816 0.170E+00 0.460E-01 DAV: 2 -0.132704126778E+04 -0.42249E-02 -0.47040E-02 3200 0.260E-01 0.226E-01 DAV: 3 -0.132704292261E+04 -0.16548E-02 -0.16007E-02 3712 0.572E-02 0.635E-01 DAV: 4 -0.132704145755E+04 0.14651E-02 -0.32028E-02 3360 0.339E-02 0.315E-01 DAV: 5 -0.132704255615E+04 -0.10986E-02 -0.17247E-02 3136 0.349E-02 0.694E-01 DAV: 6 -0.132704142308E+04 0.11331E-02 -0.19208E-02 3008 0.363E-02 0.354E-01 DAV: 7 -0.132704102755E+04 0.39553E-03 -0.57717E-03 2848 0.296E-02 0.904E-02 DAV: 8 -0.132704104351E+04 -0.15956E-04 -0.47516E-04 2528 0.145E-02 157 F= -.13479792E+04 E0= -.13479490E+04 d E =-.106688E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132704511862E+04 -0.40911E-02 -0.52158E+00 2816 0.281E+00 0.881E-01 DAV: 2 -0.132706916924E+04 -0.24051E-01 -0.20324E-01 3328 0.468E-01 0.157E+00 DAV: 3 -0.132708068217E+04 -0.11513E-01 -0.34163E-01 4096 0.191E-01 0.281E+00 DAV: 4 -0.132706619197E+04 0.14490E-01 -0.35660E-01 3552 0.140E-01 0.176E+00 DAV: 5 -0.132705500937E+04 0.11183E-01 -0.11276E-01 3552 0.985E-02 0.319E-01 DAV: 6 -0.132705671156E+04 -0.17022E-02 -0.19563E-02 3616 0.523E-02 0.593E-01 DAV: 7 -0.132705585141E+04 0.86015E-03 -0.37712E-02 3200 0.435E-02 0.297E-01 DAV: 8 -0.132705519497E+04 0.65644E-03 -0.70986E-03 3168 0.350E-02 0.168E-01 DAV: 9 -0.132705511070E+04 0.84270E-04 -0.21052E-03 3040 0.216E-02 0.917E-02 DAV: 10 -0.132705507544E+04 0.35256E-04 -0.46018E-04 2592 0.111E-02 158 F= -.13479874E+04 E0= -.13479565E+04 d E =-.820092E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132705642856E+04 -0.13179E-02 -0.62691E-01 2816 0.976E-01 0.303E-01 DAV: 2 -0.132705898706E+04 -0.25585E-02 -0.19978E-02 3328 0.159E-01 0.566E-01 DAV: 3 -0.132706118429E+04 -0.21972E-02 -0.34549E-02 3840 0.647E-02 0.112E+00 DAV: 4 -0.132705859542E+04 0.25889E-02 -0.52218E-02 3136 0.524E-02 0.574E-01 DAV: 5 -0.132705764505E+04 0.95037E-03 -0.12313E-02 2976 0.370E-02 0.133E-01 DAV: 6 -0.132705768841E+04 -0.43356E-04 -0.15029E-03 2784 0.196E-02 0.916E-02 DAV: 7 -0.132705772266E+04 -0.34244E-04 -0.11715E-03 2688 0.164E-02 0.991E-02 DAV: 8 -0.132705768785E+04 0.34809E-04 -0.82184E-04 2464 0.113E-02 159 F= -.13479880E+04 E0= -.13479569E+04 d E =-.879500E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132706293622E+04 -0.52136E-02 -0.30519E+00 2816 0.213E+00 0.629E-01 DAV: 2 -0.132707429671E+04 -0.11360E-01 -0.10655E-01 3360 0.341E-01 0.118E+00 DAV: 3 -0.132708486497E+04 -0.10568E-01 -0.28212E-01 3904 0.130E-01 0.217E+00 DAV: 4 -0.132707626623E+04 0.85987E-02 -0.18020E-01 3488 0.107E-01 0.987E-01 DAV: 5 -0.132706911601E+04 0.71502E-02 -0.33681E-02 3328 0.641E-02 0.260E-01 DAV: 6 -0.132706946995E+04 -0.35394E-03 -0.69265E-03 3104 0.444E-02 0.364E-01 DAV: 7 -0.132706914613E+04 0.32382E-03 -0.88076E-03 3328 0.365E-02 0.251E-01 DAV: 8 -0.132706896318E+04 0.18295E-03 -0.26504E-03 3040 0.234E-02 0.144E-01 DAV: 9 -0.132706887074E+04 0.92445E-04 -0.10529E-03 2720 0.133E-02 0.586E-02 DAV: 10 -0.132706887666E+04 -0.59269E-05 -0.37362E-04 2240 0.806E-03 160 F= -.13479947E+04 E0= -.13479637E+04 d E =-.665693E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132707025991E+04 -0.13892E-02 -0.18078E+00 2816 0.164E+00 0.479E-01 DAV: 2 -0.132707760219E+04 -0.73423E-02 -0.69180E-02 3392 0.264E-01 0.106E+00 DAV: 3 -0.132708208956E+04 -0.44874E-02 -0.15558E-01 3840 0.996E-02 0.166E+00 DAV: 4 -0.132707576317E+04 0.63264E-02 -0.84731E-02 3424 0.804E-02 0.514E-01 DAV: 5 -0.132707398573E+04 0.17774E-02 -0.18102E-02 3264 0.452E-02 0.203E-01 DAV: 6 -0.132707432575E+04 -0.34003E-03 -0.98174E-03 2880 0.321E-02 0.281E-01 DAV: 7 -0.132707389421E+04 0.43154E-03 -0.40274E-03 2912 0.276E-02 0.133E-01 DAV: 8 -0.132707383912E+04 0.55091E-04 -0.15401E-03 2976 0.185E-02 0.871E-02 DAV: 9 -0.132707381928E+04 0.19839E-04 -0.42704E-04 2432 0.101E-02 161 F= -.13479961E+04 E0= -.13479650E+04 d E =-.811242E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132707941839E+04 -0.55793E-02 -0.22000E+00 2816 0.180E+00 0.477E-01 DAV: 2 -0.132708516268E+04 -0.57443E-02 -0.63506E-02 3360 0.282E-01 0.569E-01 DAV: 3 -0.132708919999E+04 -0.40373E-02 -0.96672E-02 3968 0.977E-02 0.129E+00 DAV: 4 -0.132708838888E+04 0.81111E-03 -0.11265E-01 3296 0.753E-02 0.122E+00 DAV: 5 -0.132708352782E+04 0.48611E-02 -0.23959E-02 3264 0.586E-02 0.190E-01 DAV: 6 -0.132708409515E+04 -0.56732E-03 -0.47734E-03 2944 0.363E-02 0.252E-01 DAV: 7 -0.132708418042E+04 -0.85272E-04 -0.11667E-02 2912 0.243E-02 0.225E-01 DAV: 8 -0.132708373617E+04 0.44425E-03 -0.22245E-03 2656 0.198E-02 0.749E-02 DAV: 9 -0.132708373325E+04 0.29276E-05 -0.43952E-04 2528 0.108E-02 162 F= -.13480023E+04 E0= -.13479712E+04 d E =-.617541E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132708317993E+04 0.55625E-03 -0.48566E+00 2816 0.267E+00 0.708E-01 DAV: 2 -0.132709608568E+04 -0.12906E-01 -0.14456E-01 3360 0.420E-01 0.907E-01 DAV: 3 -0.132710871244E+04 -0.12627E-01 -0.27828E-01 3904 0.150E-01 0.220E+00 DAV: 4 -0.132709979884E+04 0.89136E-02 -0.23022E-01 3488 0.113E-01 0.141E+00 DAV: 5 -0.132709260536E+04 0.71935E-02 -0.30685E-02 3520 0.849E-02 0.341E-01 DAV: 6 -0.132709352187E+04 -0.91651E-03 -0.13364E-02 3008 0.545E-02 0.331E-01 DAV: 7 -0.132709334342E+04 0.17844E-03 -0.15209E-02 3200 0.380E-02 0.361E-01 DAV: 8 -0.132709291801E+04 0.42542E-03 -0.12552E-02 2880 0.291E-02 0.189E-01 DAV: 9 -0.132709269975E+04 0.21826E-03 -0.17379E-03 2656 0.171E-02 0.100E-01 DAV: 10 -0.132709266904E+04 0.30710E-04 -0.50295E-04 2432 0.107E-02 163 F= -.13480057E+04 E0= -.13479743E+04 d E =-.954918E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132709758078E+04 -0.48810E-02 -0.35860E+00 2816 0.230E+00 0.654E-01 DAV: 2 -0.132713590526E+04 -0.38324E-01 -0.29746E-01 3424 0.404E-01 0.322E+00 DAV: 3 -0.132710607994E+04 0.29825E-01 -0.27314E-01 3744 0.153E-01 0.105E+00 DAV: 4 -0.132711005909E+04 -0.39791E-02 -0.12610E-01 3328 0.106E-01 0.119E+00 DAV: 5 -0.132710437578E+04 0.56833E-02 -0.43637E-02 3552 0.700E-02 0.252E-01 DAV: 6 -0.132710482535E+04 -0.44956E-03 -0.66654E-03 3232 0.433E-02 0.291E-01 DAV: 7 -0.132710500439E+04 -0.17904E-03 -0.12833E-02 3232 0.355E-02 0.271E-01 DAV: 8 -0.132710474924E+04 0.25515E-03 -0.67691E-03 3008 0.265E-02 0.228E-01 DAV: 9 -0.132710458610E+04 0.16314E-03 -0.43126E-03 2784 0.197E-02 0.131E-01 DAV: 10 -0.132710449749E+04 0.88611E-04 -0.90248E-04 2656 0.117E-02 164 F= -.13480125E+04 E0= -.13479808E+04 d E =-.684296E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132710576757E+04 -0.11815E-02 -0.21157E+00 2816 0.177E+00 0.512E-01 DAV: 2 -0.132712801663E+04 -0.22249E-01 -0.16906E-01 3392 0.310E-01 0.248E+00 DAV: 3 -0.132711126578E+04 0.16751E-01 -0.17628E-01 3712 0.120E-01 0.915E-01 DAV: 4 -0.132711330169E+04 -0.20359E-02 -0.85127E-02 3296 0.845E-02 0.947E-01 DAV: 5 -0.132710976010E+04 0.35416E-02 -0.26886E-02 3200 0.577E-02 0.198E-01 DAV: 6 -0.132711001718E+04 -0.25709E-03 -0.44517E-03 3040 0.342E-02 0.203E-01 DAV: 7 -0.132711004011E+04 -0.22930E-04 -0.50396E-03 3040 0.274E-02 0.192E-01 DAV: 8 -0.132711017594E+04 -0.13583E-03 -0.62647E-03 2848 0.202E-02 0.216E-01 DAV: 9 -0.132710984855E+04 0.32740E-03 -0.23106E-03 2688 0.152E-02 0.745E-02 DAV: 10 -0.132710984666E+04 0.18889E-05 -0.25558E-04 2240 0.871E-03 165 F= -.13480140E+04 E0= -.13479821E+04 d E =-.835257E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132711276368E+04 -0.29151E-02 -0.36353E+00 2816 0.234E+00 0.672E-01 DAV: 2 -0.132714238477E+04 -0.29621E-01 -0.31304E-01 3328 0.397E-01 0.252E+00 DAV: 3 -0.132712580584E+04 0.16579E-01 -0.35214E-01 3584 0.147E-01 0.154E+00 DAV: 4 -0.132712309502E+04 0.27108E-02 -0.68790E-02 3424 0.106E-01 0.825E-01 DAV: 5 -0.132711999949E+04 0.30955E-02 -0.18748E-02 3648 0.671E-02 0.336E-01 DAV: 6 -0.132711984841E+04 0.15109E-03 -0.64240E-03 3264 0.423E-02 0.230E-01 DAV: 7 -0.132712063777E+04 -0.78937E-03 -0.13356E-02 3200 0.373E-02 0.330E-01 DAV: 8 -0.132711973406E+04 0.90371E-03 -0.68715E-03 3168 0.270E-02 0.180E-01 DAV: 9 -0.132711967048E+04 0.63587E-04 -0.12632E-03 2752 0.166E-02 0.811E-02 DAV: 10 -0.132711966627E+04 0.42040E-05 -0.55283E-04 2528 0.978E-03 166 F= -.13480194E+04 E0= -.13479877E+04 d E =-.541862E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132712069399E+04 -0.10235E-02 -0.35433E-01 2816 0.731E-01 0.213E-01 DAV: 2 -0.132712349099E+04 -0.27970E-02 -0.29756E-02 3392 0.124E-01 0.826E-01 DAV: 3 -0.132712204374E+04 0.14473E-02 -0.38261E-02 3328 0.474E-02 0.521E-01 DAV: 4 -0.132712167961E+04 0.36413E-03 -0.48088E-03 2720 0.346E-02 0.283E-01 DAV: 5 -0.132712139928E+04 0.28033E-03 -0.14218E-03 2976 0.240E-02 0.108E-01 DAV: 6 -0.132712138993E+04 0.93494E-05 -0.70094E-04 2560 0.144E-02 167 F= -.13480198E+04 E0= -.13479877E+04 d E =-.576622E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132712578944E+04 -0.43902E-02 -0.22800E+00 2816 0.187E+00 0.554E-01 DAV: 2 -0.132715329951E+04 -0.27510E-01 -0.23847E-01 3360 0.318E-01 0.266E+00 DAV: 3 -0.132713222819E+04 0.21071E-01 -0.31426E-01 3808 0.128E-01 0.100E+00 DAV: 4 -0.132713321729E+04 -0.98910E-03 -0.74846E-02 3424 0.853E-02 0.713E-01 DAV: 5 -0.132712992915E+04 0.32881E-02 -0.14180E-02 3520 0.599E-02 0.223E-01 DAV: 6 -0.132713034264E+04 -0.41349E-03 -0.65921E-03 3264 0.317E-02 0.311E-01 DAV: 7 -0.132713036168E+04 -0.19039E-04 -0.12388E-02 3008 0.300E-02 0.265E-01 DAV: 8 -0.132712987323E+04 0.48845E-03 -0.43693E-03 2880 0.239E-02 0.793E-02 DAV: 9 -0.132712987706E+04 -0.38299E-05 -0.65904E-04 2592 0.146E-02 168 F= -.13480250E+04 E0= -.13479930E+04 d E =-.515881E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132713128947E+04 -0.14162E-02 -0.10667E+00 2816 0.128E+00 0.393E-01 DAV: 2 -0.132714696174E+04 -0.15672E-01 -0.11270E-01 3328 0.226E-01 0.215E+00 DAV: 3 -0.132713426425E+04 0.12697E-01 -0.16122E-01 3712 0.970E-02 0.731E-01 DAV: 4 -0.132713451462E+04 -0.25037E-03 -0.38603E-02 3360 0.593E-02 0.544E-01 DAV: 5 -0.132713388078E+04 0.63384E-03 -0.21511E-02 3264 0.472E-02 0.281E-01 DAV: 6 -0.132713325970E+04 0.62108E-03 -0.64403E-03 2944 0.269E-02 0.120E-01 DAV: 7 -0.132713343183E+04 -0.17213E-03 -0.32970E-03 2784 0.204E-02 0.166E-01 DAV: 8 -0.132713322954E+04 0.20230E-03 -0.15029E-03 2720 0.160E-02 0.788E-02 DAV: 9 -0.132713321681E+04 0.12723E-04 -0.41799E-04 2400 0.104E-02 169 F= -.13480260E+04 E0= -.13479941E+04 d E =-.622183E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132713631703E+04 -0.30875E-02 -0.20592E+00 2816 0.179E+00 0.526E-01 DAV: 2 -0.132715626376E+04 -0.19947E-01 -0.19001E-01 3296 0.295E-01 0.240E+00 DAV: 3 -0.132714232695E+04 0.13937E-01 -0.23806E-01 3744 0.115E-01 0.991E-01 DAV: 4 -0.132714331958E+04 -0.99263E-03 -0.30203E-02 3232 0.768E-02 0.786E-01 DAV: 5 -0.132714103529E+04 0.22843E-02 -0.41924E-02 3520 0.516E-02 0.339E-01 DAV: 6 -0.132714036867E+04 0.66663E-03 -0.11795E-02 2816 0.325E-02 0.213E-01 DAV: 7 -0.132714043108E+04 -0.62411E-04 -0.45152E-03 2880 0.316E-02 0.202E-01 DAV: 8 -0.132714025627E+04 0.17481E-03 -0.19827E-03 3040 0.216E-02 0.114E-01 DAV: 9 -0.132714021515E+04 0.41124E-04 -0.70108E-04 2528 0.128E-02 170 F= -.13480302E+04 E0= -.13479986E+04 d E =-.419693E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132714120840E+04 -0.95213E-03 -0.10592E+00 2816 0.128E+00 0.377E-01 DAV: 2 -0.132715023837E+04 -0.90300E-02 -0.88459E-02 3296 0.210E-01 0.159E+00 DAV: 3 -0.132714473280E+04 0.55056E-02 -0.11624E-01 3712 0.811E-02 0.796E-01 DAV: 4 -0.132714463610E+04 0.96695E-04 -0.16356E-02 3136 0.570E-02 0.530E-01 DAV: 5 -0.132714350177E+04 0.11343E-02 -0.15465E-02 3424 0.383E-02 0.216E-01 DAV: 6 -0.132714339256E+04 0.10921E-03 -0.63895E-03 2624 0.232E-02 0.187E-01 DAV: 7 -0.132714336710E+04 0.25463E-04 -0.38135E-03 2816 0.226E-02 0.159E-01 DAV: 8 -0.132714326031E+04 0.10679E-03 -0.13533E-03 2816 0.174E-02 0.949E-02 DAV: 9 -0.132714322556E+04 0.34744E-04 -0.46281E-04 2336 0.105E-02 171 F= -.13480312E+04 E0= -.13479996E+04 d E =-.519414E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132714636301E+04 -0.31027E-02 -0.15234E+00 2816 0.153E+00 0.478E-01 DAV: 2 -0.132718376410E+04 -0.37401E-01 -0.26789E-01 3392 0.294E-01 0.341E+00 DAV: 3 -0.132714785162E+04 0.35912E-01 -0.22977E-01 3616 0.134E-01 0.540E-01 DAV: 4 -0.132715257820E+04 -0.47266E-02 -0.61986E-02 3168 0.737E-02 0.837E-01 DAV: 5 -0.132714924085E+04 0.33374E-02 -0.21939E-02 3232 0.510E-02 0.196E-01 DAV: 6 -0.132714954714E+04 -0.30630E-03 -0.83146E-03 3008 0.256E-02 0.282E-01 DAV: 7 -0.132714921277E+04 0.33437E-03 -0.68340E-03 3040 0.260E-02 0.155E-01 DAV: 8 -0.132714914684E+04 0.65934E-04 -0.13087E-03 2720 0.183E-02 0.105E-01 DAV: 9 -0.132714911321E+04 0.33627E-04 -0.54901E-04 2432 0.102E-02 172 F= -.13480351E+04 E0= -.13480035E+04 d E =-.389343E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132714981728E+04 -0.67045E-03 -0.99936E-01 2816 0.124E+00 0.396E-01 DAV: 2 -0.132717631932E+04 -0.26502E-01 -0.18158E-01 3392 0.241E-01 0.291E+00 DAV: 3 -0.132715067559E+04 0.25644E-01 -0.16486E-01 3584 0.112E-01 0.453E-01 DAV: 4 -0.132715374620E+04 -0.30706E-02 -0.38784E-02 3104 0.613E-02 0.691E-01 DAV: 5 -0.132715152824E+04 0.22180E-02 -0.14220E-02 3104 0.429E-02 0.106E-01 DAV: 6 -0.132715212861E+04 -0.60036E-03 -0.50576E-03 2944 0.230E-02 0.292E-01 DAV: 7 -0.132715169435E+04 0.43426E-03 -0.67236E-03 2720 0.184E-02 0.126E-01 DAV: 8 -0.132715164005E+04 0.54296E-04 -0.75987E-04 2592 0.143E-02 173 F= -.13480360E+04 E0= -.13480046E+04 d E =-.479889E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132715508572E+04 -0.33914E-02 -0.13196E+00 2816 0.141E+00 0.484E-01 DAV: 2 -0.132718094752E+04 -0.25862E-01 -0.25240E-01 3424 0.266E-01 0.266E+00 DAV: 3 -0.132715809366E+04 0.22854E-01 -0.22545E-01 3712 0.118E-01 0.721E-01 DAV: 4 -0.132715973544E+04 -0.16418E-02 -0.33505E-02 3200 0.712E-02 0.537E-01 DAV: 5 -0.132715752574E+04 0.22097E-02 -0.12562E-02 3392 0.461E-02 0.148E-01 DAV: 6 -0.132715770117E+04 -0.17542E-03 -0.28956E-03 2880 0.263E-02 0.205E-01 DAV: 7 -0.132715757549E+04 0.12568E-03 -0.19402E-03 2944 0.219E-02 0.115E-01 DAV: 8 -0.132715762538E+04 -0.49889E-04 -0.14755E-03 2848 0.156E-02 0.126E-01 DAV: 9 -0.132715757978E+04 0.45602E-04 -0.14449E-03 2368 0.924E-03 0.909E-02 DAV: 10 -0.132715753658E+04 0.43200E-04 -0.35329E-04 2176 0.709E-03 174 F= -.13480395E+04 E0= -.13480078E+04 d E =-.347763E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132715840047E+04 -0.82069E-03 -0.16907E+00 2816 0.160E+00 0.542E-01 DAV: 2 -0.132718289378E+04 -0.24493E-01 -0.24065E-01 3424 0.290E-01 0.255E+00 DAV: 3 -0.132716372639E+04 0.19167E-01 -0.24759E-01 3648 0.124E-01 0.103E+00 DAV: 4 -0.132716392742E+04 -0.20103E-03 -0.53483E-02 3232 0.828E-02 0.644E-01 DAV: 5 -0.132716153653E+04 0.23909E-02 -0.18784E-02 3392 0.546E-02 0.144E-01 DAV: 6 -0.132716177729E+04 -0.24076E-03 -0.42053E-03 2816 0.301E-02 0.176E-01 DAV: 7 -0.132716192891E+04 -0.15162E-03 -0.69144E-03 2880 0.228E-02 0.267E-01 DAV: 8 -0.132716156533E+04 0.36358E-03 -0.40209E-03 2656 0.188E-02 0.975E-02 DAV: 9 -0.132716155757E+04 0.77579E-05 -0.50732E-04 2464 0.108E-02 175 F= -.13480408E+04 E0= -.13480092E+04 d E =-.475643E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132716505619E+04 -0.34909E-02 -0.14642E+00 2816 0.149E+00 0.372E-01 DAV: 2 -0.132718107310E+04 -0.16017E-01 -0.12459E-01 3296 0.254E-01 0.214E+00 DAV: 3 -0.132716832334E+04 0.12750E-01 -0.15238E-01 3552 0.976E-02 0.599E-01 DAV: 4 -0.132716863528E+04 -0.31194E-03 -0.19969E-02 3232 0.584E-02 0.461E-01 DAV: 5 -0.132716781875E+04 0.81653E-03 -0.42442E-03 3136 0.406E-02 0.165E-01 DAV: 6 -0.132716783260E+04 -0.13848E-04 -0.15526E-03 2880 0.248E-02 0.109E-01 DAV: 7 -0.132716790974E+04 -0.77137E-04 -0.19040E-03 2720 0.189E-02 0.123E-01 DAV: 8 -0.132716784909E+04 0.60646E-04 -0.22251E-03 2432 0.120E-02 0.961E-02 DAV: 9 -0.132716781068E+04 0.38414E-04 -0.99189E-04 2336 0.106E-02 176 F= -.13480447E+04 E0= -.13480128E+04 d E =-.389806E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132716516540E+04 0.26837E-02 -0.53158E+00 2816 0.284E+00 0.718E-01 DAV: 2 -0.132723222236E+04 -0.67057E-01 -0.62000E-01 3328 0.490E-01 0.428E+00 DAV: 3 -0.132717618566E+04 0.56037E-01 -0.67334E-01 3648 0.191E-01 0.102E+00 DAV: 4 -0.132717752490E+04 -0.13392E-02 -0.52327E-02 3360 0.108E-01 0.814E-01 DAV: 5 -0.132717553349E+04 0.19914E-02 -0.13545E-02 3616 0.726E-02 0.415E-01 DAV: 6 -0.132717514133E+04 0.39216E-03 -0.69623E-03 3104 0.471E-02 0.232E-01 DAV: 7 -0.132717564901E+04 -0.50768E-03 -0.12632E-02 3232 0.370E-02 0.268E-01 DAV: 8 -0.132717506433E+04 0.58467E-03 -0.75266E-03 3040 0.258E-02 0.164E-01 DAV: 9 -0.132717515516E+04 -0.90827E-04 -0.47520E-03 2656 0.216E-02 0.184E-01 DAV: 10 -0.132717495057E+04 0.20459E-03 -0.16144E-03 2784 0.159E-02 0.512E-02 DAV: 11 -0.132717494760E+04 0.29702E-05 -0.19097E-04 2208 0.821E-03 177 F= -.13480473E+04 E0= -.13480150E+04 d E =-.653270E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132717737895E+04 -0.24284E-02 -0.20174E+00 2816 0.174E+00 0.462E-01 DAV: 2 -0.132718866008E+04 -0.11281E-01 -0.10969E-01 3328 0.277E-01 0.158E+00 DAV: 3 -0.132718546725E+04 0.31928E-02 -0.16377E-01 3904 0.997E-02 0.122E+00 DAV: 4 -0.132718395807E+04 0.15092E-02 -0.46291E-02 3232 0.707E-02 0.748E-01 DAV: 5 -0.132718221096E+04 0.17471E-02 -0.48372E-02 3200 0.420E-02 0.375E-01 DAV: 6 -0.132718136426E+04 0.84671E-03 -0.82739E-03 2880 0.306E-02 0.168E-01 DAV: 7 -0.132718148923E+04 -0.12498E-03 -0.19013E-03 2784 0.293E-02 0.200E-01 DAV: 8 -0.132718142489E+04 0.64349E-04 -0.20530E-03 2944 0.231E-02 0.166E-01 DAV: 9 -0.132718131673E+04 0.10816E-03 -0.98632E-04 2624 0.156E-02 0.552E-02 DAV: 10 -0.132718132001E+04 -0.32797E-05 -0.13523E-04 2144 0.737E-03 178 F= -.13480513E+04 E0= -.13480190E+04 d E =-.398924E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132718021473E+04 0.11020E-02 -0.29548E+00 2816 0.210E+00 0.557E-01 DAV: 2 -0.132719625155E+04 -0.16037E-01 -0.15537E-01 3296 0.334E-01 0.188E+00 DAV: 3 -0.132719185448E+04 0.43971E-02 -0.23412E-01 3936 0.119E-01 0.144E+00 DAV: 4 -0.132718888126E+04 0.29732E-02 -0.59662E-02 3264 0.846E-02 0.782E-01 DAV: 5 -0.132718730037E+04 0.15809E-02 -0.59303E-02 3424 0.503E-02 0.425E-01 DAV: 6 -0.132718609033E+04 0.12100E-02 -0.12719E-02 2880 0.364E-02 0.211E-01 DAV: 7 -0.132718622734E+04 -0.13701E-03 -0.37633E-03 2880 0.354E-02 0.227E-01 DAV: 8 -0.132718617940E+04 0.47940E-04 -0.27117E-03 2944 0.266E-02 0.221E-01 DAV: 9 -0.132718598350E+04 0.19590E-03 -0.14388E-03 2848 0.184E-02 0.787E-02 DAV: 10 -0.132718598730E+04 -0.37964E-05 -0.23788E-04 2432 0.908E-03 179 F= -.13480531E+04 E0= -.13480207E+04 d E =-.575981E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132718961276E+04 -0.36293E-02 -0.16438E+00 2816 0.159E+00 0.486E-01 DAV: 2 -0.132721685503E+04 -0.27242E-01 -0.20853E-01 3424 0.288E-01 0.285E+00 DAV: 3 -0.132719310778E+04 0.23747E-01 -0.20434E-01 3520 0.121E-01 0.773E-01 DAV: 4 -0.132719499050E+04 -0.18827E-02 -0.55317E-02 3360 0.778E-02 0.735E-01 DAV: 5 -0.132719275844E+04 0.22321E-02 -0.19560E-02 3424 0.528E-02 0.205E-01 DAV: 6 -0.132719285349E+04 -0.95047E-04 -0.42833E-03 2848 0.312E-02 0.195E-01 DAV: 7 -0.132719280788E+04 0.45613E-04 -0.32580E-03 2816 0.234E-02 0.140E-01 DAV: 8 -0.132719292999E+04 -0.12212E-03 -0.35826E-03 2784 0.178E-02 0.167E-01 DAV: 9 -0.132719273467E+04 0.19532E-03 -0.15924E-03 2400 0.112E-02 0.746E-02 DAV: 10 -0.132719272214E+04 0.12535E-04 -0.16931E-04 2016 0.756E-03 180 F= -.13480574E+04 E0= -.13480253E+04 d E =-.435946E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132719375827E+04 -0.10236E-02 -0.84358E-01 2816 0.114E+00 0.349E-01 DAV: 2 -0.132720714961E+04 -0.13391E-01 -0.99429E-02 3392 0.205E-01 0.202E+00 DAV: 3 -0.132719569664E+04 0.11453E-01 -0.10764E-01 3520 0.858E-02 0.601E-01 DAV: 4 -0.132719656948E+04 -0.87283E-03 -0.31243E-02 3200 0.570E-02 0.534E-01 DAV: 5 -0.132719534839E+04 0.12211E-02 -0.10142E-02 3168 0.395E-02 0.153E-01 DAV: 6 -0.132719542128E+04 -0.72888E-04 -0.25501E-03 2752 0.226E-02 0.142E-01 DAV: 7 -0.132719542548E+04 -0.41974E-05 -0.20942E-03 2880 0.174E-02 0.117E-01 DAV: 8 -0.132719547810E+04 -0.52625E-04 -0.27254E-03 2496 0.128E-02 0.129E-01 DAV: 9 -0.132719534825E+04 0.12985E-03 -0.82834E-04 2304 0.967E-03 0.454E-02 DAV: 10 -0.132719534687E+04 0.13775E-05 -0.72848E-05 1952 0.564E-03 181 F= -.13480583E+04 E0= -.13480262E+04 d E =-.527598E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132719791358E+04 -0.25653E-02 -0.15253E+00 2816 0.153E+00 0.441E-01 DAV: 2 -0.132720233403E+04 -0.44205E-02 -0.49209E-02 3392 0.242E-01 0.532E-01 DAV: 3 -0.132720318511E+04 -0.85108E-03 -0.48877E-02 3872 0.853E-02 0.688E-01 DAV: 4 -0.132720371655E+04 -0.53144E-03 -0.59220E-02 3264 0.617E-02 0.102E+00 DAV: 5 -0.132720113265E+04 0.25839E-02 -0.32476E-02 3040 0.451E-02 0.384E-01 DAV: 6 -0.132720087937E+04 0.25327E-03 -0.42719E-03 2688 0.294E-02 0.171E-01 DAV: 7 -0.132720089355E+04 -0.14172E-04 -0.28405E-03 3040 0.250E-02 0.143E-01 DAV: 8 -0.132720094005E+04 -0.46508E-04 -0.29335E-03 2784 0.188E-02 0.139E-01 DAV: 9 -0.132720078718E+04 0.15288E-03 -0.14629E-03 2528 0.122E-02 0.416E-02 DAV: 10 -0.132720078406E+04 0.31131E-05 -0.15264E-04 2048 0.646E-03 182 F= -.13480617E+04 E0= -.13480294E+04 d E =-.337183E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132720160321E+04 -0.81604E-03 -0.64171E-01 2816 0.996E-01 0.290E-01 DAV: 2 -0.132720347945E+04 -0.18762E-02 -0.21132E-02 3360 0.158E-01 0.347E-01 DAV: 3 -0.132720378867E+04 -0.30922E-03 -0.20512E-02 3648 0.559E-02 0.463E-01 DAV: 4 -0.132720436489E+04 -0.57622E-03 -0.29400E-02 3008 0.417E-02 0.740E-01 DAV: 5 -0.132720293511E+04 0.14298E-02 -0.15242E-02 2816 0.320E-02 0.240E-01 DAV: 6 -0.132720287600E+04 0.59118E-04 -0.22865E-03 2624 0.198E-02 0.120E-01 DAV: 7 -0.132720288831E+04 -0.12310E-04 -0.17196E-03 2816 0.164E-02 0.112E-01 DAV: 8 -0.132720288753E+04 0.77857E-06 -0.16235E-03 2432 0.131E-02 0.971E-02 DAV: 9 -0.132720281325E+04 0.74282E-04 -0.59385E-04 2080 0.903E-03 183 F= -.13480624E+04 E0= -.13480301E+04 d E =-.405957E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132720558760E+04 -0.27001E-02 -0.14650E+00 2816 0.152E+00 0.459E-01 DAV: 2 -0.132721758230E+04 -0.11995E-01 -0.10110E-01 3360 0.257E-01 0.169E+00 DAV: 3 -0.132721252361E+04 0.50587E-02 -0.16751E-01 3840 0.101E-01 0.120E+00 DAV: 4 -0.132720947155E+04 0.30521E-02 -0.58181E-02 3296 0.732E-02 0.507E-01 DAV: 5 -0.132720868950E+04 0.78205E-03 -0.14673E-02 3328 0.506E-02 0.250E-01 DAV: 6 -0.132720879496E+04 -0.10547E-03 -0.10104E-02 2912 0.275E-02 0.210E-01 DAV: 7 -0.132720858945E+04 0.20551E-03 -0.57131E-03 2848 0.239E-02 0.190E-01 DAV: 8 -0.132720852035E+04 0.69106E-04 -0.33441E-03 2944 0.217E-02 0.154E-01 DAV: 9 -0.132720841387E+04 0.10647E-03 -0.78070E-04 2592 0.132E-02 0.643E-02 DAV: 10 -0.132720840372E+04 0.10153E-04 -0.15572E-04 2048 0.697E-03 184 F= -.13480658E+04 E0= -.13480335E+04 d E =-.336033E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132720916134E+04 -0.74746E-03 -0.32044E-01 2816 0.710E-01 0.217E-01 DAV: 2 -0.132721157687E+04 -0.24155E-02 -0.19974E-02 3392 0.120E-01 0.757E-01 DAV: 3 -0.132721082476E+04 0.75211E-03 -0.34373E-02 3264 0.483E-02 0.622E-01 DAV: 4 -0.132721001399E+04 0.81077E-03 -0.15453E-02 2976 0.360E-02 0.249E-01 DAV: 5 -0.132720982103E+04 0.19296E-03 -0.28818E-03 2912 0.248E-02 0.120E-01 DAV: 6 -0.132720980446E+04 0.16572E-04 -0.85729E-04 2656 0.145E-02 185 F= -.13480661E+04 E0= -.13480334E+04 d E =-.371553E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132721210100E+04 -0.22800E-02 -0.15688E+00 2816 0.159E+00 0.405E-01 DAV: 2 -0.132721582952E+04 -0.37285E-02 -0.40653E-02 3264 0.240E-01 0.324E-01 DAV: 3 -0.132721818155E+04 -0.23520E-02 -0.39019E-02 3808 0.716E-02 0.616E-01 DAV: 4 -0.132721543311E+04 0.27484E-02 -0.98588E-03 3168 0.478E-02 0.296E-01 DAV: 5 -0.132721576906E+04 -0.33595E-03 -0.97461E-03 3008 0.277E-02 0.465E-01 DAV: 6 -0.132721569707E+04 0.72000E-04 -0.13229E-02 3008 0.295E-02 0.360E-01 DAV: 7 -0.132721536863E+04 0.32843E-03 -0.92249E-03 2816 0.265E-02 0.186E-01 DAV: 8 -0.132721518173E+04 0.18690E-03 -0.20735E-03 2784 0.199E-02 0.660E-02 DAV: 9 -0.132721518772E+04 -0.59924E-05 -0.43418E-04 2464 0.101E-02 186 F= -.13480691E+04 E0= -.13480367E+04 d E =-.303539E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132721589575E+04 -0.71402E-03 -0.36031E-01 2816 0.761E-01 0.199E-01 DAV: 2 -0.132721694114E+04 -0.10454E-02 -0.11523E-02 3232 0.117E-01 0.276E-01 DAV: 3 -0.132721794574E+04 -0.10046E-02 -0.23823E-02 3360 0.410E-02 0.672E-01 DAV: 4 -0.132721734868E+04 0.59706E-03 -0.19902E-02 2784 0.344E-02 0.510E-01 DAV: 5 -0.132721657828E+04 0.77040E-03 -0.35236E-03 2816 0.269E-02 0.949E-02 DAV: 6 -0.132721672339E+04 -0.14511E-03 -0.17775E-03 2560 0.144E-02 0.125E-01 DAV: 7 -0.132721668447E+04 0.38920E-04 -0.20006E-03 2496 0.125E-02 0.973E-02 DAV: 8 -0.132721662847E+04 0.56002E-04 -0.58654E-04 2272 0.100E-02 187 F= -.13480695E+04 E0= -.13480372E+04 d E =-.334994E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132721947118E+04 -0.27867E-02 -0.13036E+00 2816 0.144E+00 0.468E-01 DAV: 2 -0.132722576729E+04 -0.62961E-02 -0.47164E-02 3520 0.242E-01 0.101E+00 DAV: 3 -0.132722702107E+04 -0.12538E-02 -0.44062E-02 4032 0.957E-02 0.133E+00 DAV: 4 -0.132722566700E+04 0.13541E-02 -0.11808E-01 3136 0.751E-02 0.108E+00 DAV: 5 -0.132722191419E+04 0.37528E-02 -0.40297E-02 3232 0.601E-02 0.220E-01 DAV: 6 -0.132722220831E+04 -0.29412E-03 -0.66749E-03 2816 0.340E-02 0.218E-01 DAV: 7 -0.132722213647E+04 0.71844E-04 -0.56095E-03 2880 0.223E-02 0.174E-01 DAV: 8 -0.132722220221E+04 -0.65740E-04 -0.59476E-03 2592 0.188E-02 0.166E-01 DAV: 9 -0.132722196905E+04 0.23316E-03 -0.14128E-03 2592 0.140E-02 0.538E-02 DAV: 10 -0.132722196383E+04 0.52130E-05 -0.19162E-04 2144 0.754E-03 188 F= -.13480727E+04 E0= -.13480405E+04 d E =-.324578E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132722268575E+04 -0.71670E-03 -0.10636E+00 2816 0.130E+00 0.423E-01 DAV: 2 -0.132722771728E+04 -0.50315E-02 -0.38720E-02 3520 0.219E-01 0.876E-01 DAV: 3 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0.565E-01 DAV: 5 -0.132722987476E+04 0.10863E-02 -0.86776E-03 3136 0.451E-02 0.205E-01 DAV: 6 -0.132723006723E+04 -0.19248E-03 -0.78472E-03 2656 0.254E-02 0.187E-01 DAV: 7 -0.132722985523E+04 0.21200E-03 -0.30914E-03 2752 0.218E-02 0.139E-01 DAV: 8 -0.132722984669E+04 0.85467E-05 -0.20848E-03 2912 0.186E-02 0.124E-01 DAV: 9 -0.132722976739E+04 0.79294E-04 -0.69175E-04 2688 0.125E-02 190 F= -.13480765E+04 E0= -.13480445E+04 d E =-.294933E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132723070464E+04 -0.85796E-03 -0.77784E-01 2816 0.111E+00 0.289E-01 DAV: 2 -0.132723364687E+04 -0.29422E-02 -0.34477E-02 3392 0.179E-01 0.603E-01 DAV: 3 -0.132723523957E+04 -0.15927E-02 -0.63913E-02 3680 0.636E-02 0.101E+00 DAV: 4 -0.132723323677E+04 0.20028E-02 -0.30337E-02 3104 0.494E-02 0.517E-01 DAV: 5 -0.132723230662E+04 0.93015E-03 -0.79505E-03 2944 0.362E-02 0.173E-01 DAV: 6 -0.132723240130E+04 -0.94683E-04 -0.51792E-03 2528 0.204E-02 0.149E-01 DAV: 7 -0.132723227661E+04 0.12469E-03 -0.17075E-03 2752 0.180E-02 0.111E-01 DAV: 8 -0.132723226086E+04 0.15751E-04 -0.10449E-03 2656 0.144E-02 0.909E-02 DAV: 9 -0.132723222338E+04 0.37478E-04 -0.34985E-04 2336 0.998E-03 191 F= -.13480774E+04 E0= -.13480452E+04 d E =-.377772E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132723516364E+04 -0.29028E-02 -0.94542E-01 2816 0.123E+00 0.386E-01 DAV: 2 -0.132723946373E+04 -0.43001E-02 -0.46387E-02 3424 0.204E-01 0.759E-01 DAV: 3 -0.132724068304E+04 -0.12193E-02 -0.91405E-02 3744 0.787E-02 0.116E+00 DAV: 4 -0.132723969017E+04 0.99287E-03 -0.60279E-02 3008 0.608E-02 0.962E-01 DAV: 5 -0.132723685918E+04 0.28310E-02 -0.98166E-03 3136 0.479E-02 0.145E-01 DAV: 6 -0.132723728716E+04 -0.42799E-03 -0.55858E-03 2720 0.297E-02 0.193E-01 DAV: 7 -0.132723728028E+04 0.68850E-05 -0.65719E-03 2880 0.220E-02 0.229E-01 DAV: 8 -0.132723702728E+04 0.25300E-03 -0.37465E-03 2592 0.186E-02 0.996E-02 DAV: 9 -0.132723699855E+04 0.28731E-04 -0.56459E-04 2496 0.111E-02 192 F= -.13480806E+04 E0= -.13480484E+04 d E =-.326235E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132723771042E+04 -0.68314E-03 -0.96558E-01 2816 0.124E+00 0.401E-01 DAV: 2 -0.132724303236E+04 -0.53219E-02 -0.58520E-02 3488 0.209E-01 0.914E-01 DAV: 3 -0.132724407007E+04 -0.10377E-02 -0.11786E-01 3648 0.837E-02 0.129E+00 DAV: 4 -0.132724223699E+04 0.18331E-02 -0.60931E-02 3104 0.643E-02 0.906E-01 DAV: 5 -0.132723947423E+04 0.27628E-02 -0.11383E-02 3232 0.485E-02 0.145E-01 DAV: 6 -0.132723986432E+04 -0.39009E-03 -0.56328E-03 2784 0.298E-02 0.194E-01 DAV: 7 -0.132723981124E+04 0.53084E-04 -0.62881E-03 2944 0.220E-02 0.217E-01 DAV: 8 -0.132723958158E+04 0.22966E-03 -0.26357E-03 2784 0.191E-02 0.862E-02 DAV: 9 -0.132723957179E+04 0.97846E-05 -0.41219E-04 2400 0.108E-02 193 F= -.13480817E+04 E0= -.13480493E+04 d E =-.430643E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132724200964E+04 -0.24281E-02 -0.55543E-01 2816 0.937E-01 0.245E-01 DAV: 2 -0.132724752125E+04 -0.55116E-02 -0.51205E-02 3488 0.158E-01 0.122E+00 DAV: 3 -0.132724352720E+04 0.39941E-02 -0.53183E-02 3424 0.581E-02 0.483E-01 DAV: 4 -0.132724358823E+04 -0.61034E-04 -0.12325E-02 3040 0.388E-02 0.273E-01 DAV: 5 -0.132724315852E+04 0.42971E-03 -0.56530E-03 3008 0.242E-02 0.124E-01 DAV: 6 -0.132724321488E+04 -0.56353E-04 -0.30728E-03 2656 0.161E-02 0.148E-01 DAV: 7 -0.132724309979E+04 0.11509E-03 -0.13930E-03 2624 0.146E-02 0.621E-02 DAV: 8 -0.132724309113E+04 0.86625E-05 -0.24747E-04 2304 0.111E-02 194 F= -.13480839E+04 E0= -.13480515E+04 d E =-.224649E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132724292069E+04 0.17910E-03 -0.27835E+00 2816 0.210E+00 0.542E-01 DAV: 2 -0.132726354003E+04 -0.20619E-01 -0.20575E-01 3456 0.346E-01 0.217E+00 DAV: 3 -0.132725274953E+04 0.10790E-01 -0.23026E-01 3616 0.121E-01 0.134E+00 DAV: 4 -0.132725041279E+04 0.23367E-02 -0.77995E-02 3296 0.879E-02 0.655E-01 DAV: 5 -0.132724839234E+04 0.20204E-02 -0.22078E-02 3360 0.572E-02 0.217E-01 DAV: 6 -0.132724856246E+04 -0.17012E-03 -0.56598E-03 3040 0.366E-02 0.271E-01 DAV: 7 -0.132724844187E+04 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-0.132725264739E+04 0.94961E-04 -0.82657E-04 2496 0.111E-02 196 F= -.13480893E+04 E0= -.13480567E+04 d E =-.304920E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132725407089E+04 -0.13285E-02 -0.59197E-01 2816 0.964E-01 0.425E-01 DAV: 2 -0.132725913672E+04 -0.50658E-02 -0.44696E-02 3488 0.182E-01 0.958E-01 DAV: 3 -0.132725555983E+04 0.35769E-02 -0.39075E-02 3776 0.828E-02 0.448E-01 DAV: 4 -0.132725678164E+04 -0.12218E-02 -0.26077E-02 3136 0.520E-02 0.721E-01 DAV: 5 -0.132725564258E+04 0.11391E-02 -0.23341E-02 2976 0.380E-02 0.438E-01 DAV: 6 -0.132725534156E+04 0.30101E-03 -0.87755E-03 2944 0.307E-02 0.207E-01 DAV: 7 -0.132725527881E+04 0.62750E-04 -0.48954E-03 2752 0.194E-02 0.165E-01 DAV: 8 -0.132725519827E+04 0.80540E-04 -0.38188E-03 2752 0.156E-02 0.131E-01 DAV: 9 -0.132725509910E+04 0.99174E-04 -0.81837E-04 2496 0.113E-02 197 F= -.13480903E+04 E0= -.13480578E+04 d E =-.409119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132725762663E+04 -0.24284E-02 -0.67938E-01 2816 0.104E+00 0.375E-01 DAV: 2 -0.132726233566E+04 -0.47090E-02 -0.55522E-02 3456 0.175E-01 0.103E+00 DAV: 3 -0.132726257692E+04 -0.24126E-03 -0.10756E-01 3520 0.759E-02 0.116E+00 DAV: 4 -0.132726005111E+04 0.25258E-02 -0.27663E-02 3168 0.599E-02 0.567E-01 DAV: 5 -0.132725886424E+04 0.11869E-02 -0.38343E-03 3072 0.444E-02 0.165E-01 DAV: 6 -0.132725904305E+04 -0.17881E-03 -0.43548E-03 2784 0.259E-02 0.179E-01 DAV: 7 -0.132725904988E+04 -0.68237E-05 -0.33034E-03 2880 0.194E-02 0.170E-01 DAV: 8 -0.132725892117E+04 0.12871E-03 -0.29295E-03 2464 0.129E-02 0.831E-02 DAV: 9 -0.132725887884E+04 0.42330E-04 -0.31464E-04 2048 0.825E-03 198 F= -.13480929E+04 E0= -.13480606E+04 d E =-.255466E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132725978142E+04 -0.86024E-03 -0.45758E-01 2816 0.854E-01 0.304E-01 DAV: 2 -0.132726348819E+04 -0.37068E-02 -0.43524E-02 3392 0.147E-01 0.946E-01 DAV: 3 -0.132726277225E+04 0.71594E-03 -0.73838E-02 3392 0.627E-02 0.901E-01 DAV: 4 -0.132726128647E+04 0.14858E-02 -0.16032E-02 3136 0.480E-02 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0.187E-02 0.159E-01 DAV: 8 -0.132726513471E+04 0.20016E-03 -0.27257E-03 2592 0.142E-02 0.104E-01 DAV: 9 -0.132726508932E+04 0.45389E-04 -0.86528E-04 2272 0.103E-02 200 F= -.13480970E+04 E0= -.13480650E+04 d E =-.340937E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132726600175E+04 -0.86704E-03 -0.72207E-01 2816 0.107E+00 0.410E-01 DAV: 2 -0.132727111878E+04 -0.51170E-02 -0.53038E-02 3488 0.189E-01 0.943E-01 DAV: 3 -0.132727092449E+04 0.19429E-03 -0.11232E-01 3680 0.859E-02 0.120E+00 DAV: 4 -0.132726978369E+04 0.11408E-02 -0.62702E-02 3168 0.626E-02 0.956E-01 DAV: 5 -0.132726724118E+04 0.25425E-02 -0.86759E-03 3168 0.498E-02 0.188E-01 DAV: 6 -0.132726730222E+04 -0.61039E-04 -0.27937E-03 2912 0.279E-02 0.111E-01 DAV: 7 -0.132726739197E+04 -0.89746E-04 -0.23443E-03 2848 0.184E-02 0.128E-01 DAV: 8 -0.132726733411E+04 0.57859E-04 -0.21042E-03 2560 0.134E-02 0.105E-01 DAV: 9 -0.132726727860E+04 0.55505E-04 -0.10889E-03 2272 0.886E-03 0.509E-02 DAV: 10 -0.132726726865E+04 0.99500E-05 -0.11266E-04 1952 0.535E-03 201 F= -.13480982E+04 E0= -.13480660E+04 d E =-.458462E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132727028211E+04 -0.30035E-02 -0.67747E-01 2816 0.102E+00 0.328E-01 DAV: 2 -0.132727796405E+04 -0.76819E-02 -0.68571E-02 3296 0.176E-01 0.146E+00 DAV: 3 -0.132727218721E+04 0.57768E-02 -0.75215E-02 3616 0.697E-02 0.583E-01 DAV: 4 -0.132727261787E+04 -0.43066E-03 -0.22073E-02 2944 0.480E-02 0.357E-01 DAV: 5 -0.132727164869E+04 0.96919E-03 -0.10244E-02 3040 0.313E-02 0.158E-01 DAV: 6 -0.132727171316E+04 -0.64472E-04 -0.33288E-03 2752 0.226E-02 0.194E-01 DAV: 7 -0.132727159208E+04 0.12107E-03 -0.22073E-03 2848 0.195E-02 0.958E-02 DAV: 8 -0.132727156732E+04 0.24769E-04 -0.49479E-04 2496 0.128E-02 202 F= -.13481013E+04 E0= -.13480692E+04 d E =-.308468E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132727252488E+04 -0.93280E-03 -0.13695E+00 2816 0.145E+00 0.474E-01 DAV: 2 -0.132728869577E+04 -0.16171E-01 -0.14934E-01 3360 0.252E-01 0.207E+00 DAV: 3 -0.132727660060E+04 0.12095E-01 -0.15830E-01 3680 0.101E-01 0.864E-01 DAV: 4 -0.132727747997E+04 -0.87937E-03 -0.48363E-02 3168 0.692E-02 0.493E-01 DAV: 5 -0.132727518718E+04 0.22928E-02 -0.17717E-02 3104 0.429E-02 0.194E-01 DAV: 6 -0.132727533751E+04 -0.15033E-03 -0.39771E-03 2880 0.297E-02 0.260E-01 DAV: 7 -0.132727515473E+04 0.18279E-03 -0.35156E-03 2912 0.260E-02 0.143E-01 DAV: 8 -0.132727512371E+04 0.31015E-04 -0.10205E-03 2752 0.183E-02 0.940E-02 DAV: 9 -0.132727514111E+04 -0.17401E-04 -0.81306E-04 2432 0.101E-02 203 F= -.13481031E+04 E0= -.13480709E+04 d E =-.493058E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132727821597E+04 -0.30923E-02 -0.58682E-01 2816 0.942E-01 0.350E-01 DAV: 2 -0.132728833490E+04 -0.10119E-01 -0.49083E-02 3296 0.180E-01 0.178E+00 DAV: 3 -0.132728133255E+04 0.70023E-02 -0.80614E-02 3648 0.877E-02 0.101E+00 DAV: 4 -0.132727996368E+04 0.13689E-02 -0.56585E-02 3008 0.568E-02 0.497E-01 DAV: 5 -0.132727933480E+04 0.62888E-03 -0.94250E-03 3040 0.398E-02 0.178E-01 DAV: 6 -0.132727934686E+04 -0.12068E-04 -0.40069E-03 2752 0.224E-02 0.137E-01 DAV: 7 -0.132727928590E+04 0.60966E-04 -0.25668E-03 2720 0.148E-02 0.110E-01 DAV: 8 -0.132727926683E+04 0.19068E-04 -0.18610E-03 2624 0.126E-02 0.991E-02 DAV: 9 -0.132727921944E+04 0.47386E-04 -0.48423E-04 2240 0.949E-03 204 F= -.13481060E+04 E0= -.13480740E+04 d E =-.290080E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132727849395E+04 0.77288E-03 -0.48554E+00 2816 0.271E+00 0.996E-01 DAV: 2 -0.132736868692E+04 -0.90193E-01 -0.82573E-01 3296 0.516E-01 0.553E+00 DAV: 3 -0.132729573207E+04 0.72955E-01 -0.10258E+00 3872 0.248E-01 0.232E+00 DAV: 4 -0.132729773267E+04 -0.20006E-02 -0.44930E-01 3360 0.155E-01 0.183E+00 DAV: 5 -0.132728768646E+04 0.10046E-01 -0.10304E-01 3328 0.117E-01 0.555E-01 DAV: 6 -0.132728716762E+04 0.51883E-03 -0.22820E-02 3328 0.690E-02 0.403E-01 DAV: 7 -0.132728663916E+04 0.52846E-03 -0.84601E-03 2976 0.422E-02 0.222E-01 DAV: 8 -0.132728671393E+04 -0.74768E-04 -0.46134E-03 3040 0.342E-02 0.201E-01 DAV: 9 -0.132728671621E+04 -0.22754E-05 -0.31234E-03 2880 0.224E-02 0.195E-01 DAV: 10 -0.132728668662E+04 0.29586E-04 -0.33214E-03 2688 0.134E-02 0.153E-01 DAV: 11 -0.132728656470E+04 0.12192E-03 -0.88531E-04 2368 0.104E-02 0.541E-02 DAV: 12 -0.132728656577E+04 -0.10670E-05 -0.82404E-05 2048 0.618E-03 205 F= -.13481100E+04 E0= -.13480781E+04 d E =-.686370E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132729067271E+04 -0.41080E-02 -0.84071E-01 2816 0.113E+00 0.324E-01 DAV: 2 -0.132729584623E+04 -0.51735E-02 -0.30839E-02 3264 0.186E-01 0.108E+00 DAV: 3 -0.132729447138E+04 0.13749E-02 -0.41836E-02 3680 0.716E-02 0.954E-01 DAV: 4 -0.132729335272E+04 0.11187E-02 -0.53659E-02 2912 0.536E-02 0.586E-01 DAV: 5 -0.132729214861E+04 0.12041E-02 -0.11034E-02 2976 0.389E-02 0.130E-01 DAV: 6 -0.132729237421E+04 -0.22560E-03 -0.35709E-03 2816 0.231E-02 0.181E-01 DAV: 7 -0.132729227905E+04 0.95158E-04 -0.26928E-03 2752 0.175E-02 0.108E-01 DAV: 8 -0.132729229423E+04 -0.15180E-04 -0.22551E-03 2560 0.128E-02 0.969E-02 DAV: 9 -0.132729221861E+04 0.75614E-04 -0.49471E-04 2144 0.870E-03 206 F= -.13481142E+04 E0= -.13480824E+04 d E =-.426433E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132728912587E+04 0.31684E-02 -0.75586E+00 2816 0.338E+00 0.968E-01 DAV: 2 -0.132733465535E+04 -0.45529E-01 -0.32498E-01 3296 0.554E-01 0.344E+00 DAV: 3 -0.132731991519E+04 0.14740E-01 -0.41872E-01 3904 0.206E-01 0.259E+00 DAV: 4 -0.132731587207E+04 0.40431E-02 -0.49062E-01 3456 0.153E-01 0.192E+00 DAV: 5 -0.132730302378E+04 0.12848E-01 -0.10529E-01 3488 0.118E-01 0.443E-01 DAV: 6 -0.132730398149E+04 -0.95771E-03 -0.26821E-02 3456 0.720E-02 0.514E-01 DAV: 7 -0.132730306576E+04 0.91572E-03 -0.16833E-02 3040 0.501E-02 0.272E-01 DAV: 8 -0.132730392403E+04 -0.85827E-03 -0.18963E-02 3008 0.400E-02 0.313E-01 DAV: 9 -0.132730293748E+04 0.98655E-03 -0.55848E-03 2784 0.255E-02 0.169E-01 DAV: 10 -0.132730288072E+04 0.56761E-04 -0.72719E-04 2880 0.156E-02 207 F= -.13481208E+04 E0= -.13480899E+04 d E =-.107733E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132730733562E+04 -0.43981E-02 -0.12332E+00 2816 0.133E+00 0.385E-01 DAV: 2 -0.132731113223E+04 -0.37966E-02 -0.36187E-02 3136 0.206E-01 0.604E-01 DAV: 3 -0.132731585919E+04 -0.47270E-02 -0.64703E-02 3712 0.812E-02 0.146E+00 DAV: 4 -0.132731070968E+04 0.51495E-02 -0.74494E-02 3200 0.648E-02 0.596E-01 DAV: 5 -0.132730974324E+04 0.96643E-03 -0.16675E-02 2976 0.436E-02 0.197E-01 DAV: 6 -0.132730984846E+04 -0.10522E-03 -0.36610E-03 2976 0.254E-02 0.184E-01 DAV: 7 -0.132730980104E+04 0.47420E-04 -0.28526E-03 2816 0.220E-02 0.103E-01 DAV: 8 -0.132730979661E+04 0.44353E-05 -0.20269E-03 2624 0.133E-02 0.107E-01 DAV: 9 -0.132730973842E+04 0.58187E-04 -0.98125E-04 2464 0.944E-03 208 F= -.13481258E+04 E0= -.13480946E+04 d E =-.499608E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132730190085E+04 0.78958E-02 -0.11095E+01 2816 0.398E+00 0.117E+00 DAV: 2 -0.132735405835E+04 -0.52158E-01 -0.47370E-01 3168 0.635E-01 0.290E+00 DAV: 3 -0.132736353219E+04 -0.94738E-02 -0.10303E+00 3904 0.249E-01 0.334E+00 DAV: 4 -0.132732887385E+04 0.34658E-01 -0.42028E-01 3584 0.178E-01 0.128E+00 DAV: 5 -0.132732545341E+04 0.34204E-02 -0.13046E-01 3616 0.126E-01 0.624E-01 DAV: 6 -0.132732312236E+04 0.23310E-02 -0.30487E-02 3296 0.765E-02 0.365E-01 DAV: 7 -0.132732423514E+04 -0.11128E-02 -0.34073E-02 3168 0.638E-02 0.491E-01 DAV: 8 -0.132732334862E+04 0.88652E-03 -0.81999E-03 3328 0.472E-02 0.401E-01 DAV: 9 -0.132732276760E+04 0.58102E-03 -0.65470E-03 3168 0.304E-02 0.234E-01 DAV: 10 -0.132732262010E+04 0.14750E-03 -0.19546E-03 2912 0.196E-02 0.869E-02 DAV: 11 -0.132732260909E+04 0.11009E-04 -0.58933E-04 2592 0.109E-02 209 F= -.13481331E+04 E0= -.13481016E+04 d E =-.123160E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132732758400E+04 -0.49639E-02 -0.19599E+00 2816 0.164E+00 0.425E-01 DAV: 2 -0.132733717054E+04 -0.95865E-02 -0.87034E-02 3232 0.259E-01 0.139E+00 DAV: 3 -0.132733508254E+04 0.20880E-02 -0.13501E-01 3776 0.918E-02 0.116E+00 DAV: 4 -0.132733198916E+04 0.30934E-02 -0.44868E-02 3136 0.667E-02 0.439E-01 DAV: 5 -0.132733140284E+04 0.58632E-03 -0.12191E-02 3200 0.446E-02 0.213E-01 DAV: 6 -0.132733143762E+04 -0.34789E-04 -0.53196E-03 2880 0.299E-02 0.171E-01 DAV: 7 -0.132733142177E+04 0.15858E-04 -0.42893E-03 2976 0.244E-02 0.168E-01 DAV: 8 -0.132733134798E+04 0.73782E-04 -0.34981E-03 2688 0.186E-02 0.120E-01 DAV: 9 -0.132733128071E+04 0.67274E-04 -0.87319E-04 2560 0.113E-02 210 F= -.13481392E+04 E0= -.13481072E+04 d E =-.617531E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132731662034E+04 0.14728E-01 -0.17618E+01 2816 0.491E+00 0.127E+00 DAV: 2 -0.132740281793E+04 -0.86198E-01 -0.91409E-01 3168 0.774E-01 0.390E+00 DAV: 3 -0.132738354734E+04 0.19271E-01 -0.14173E+00 3968 0.271E-01 0.310E+00 DAV: 4 -0.132735609682E+04 0.27451E-01 -0.33084E-01 3552 0.191E-01 0.127E+00 DAV: 5 -0.132735372251E+04 0.23743E-02 -0.11811E-01 3488 0.136E-01 0.813E-01 DAV: 6 -0.132735016073E+04 0.35618E-02 -0.32960E-02 3520 0.934E-02 0.475E-01 DAV: 7 -0.132735164513E+04 -0.14844E-02 -0.27092E-02 3264 0.739E-02 0.676E-01 DAV: 8 -0.132735097895E+04 0.66618E-03 -0.67566E-02 3264 0.576E-02 0.441E-01 DAV: 9 -0.132734985259E+04 0.11264E-02 -0.95272E-03 2880 0.409E-02 0.377E-01 DAV: 10 -0.132734965060E+04 0.20199E-03 -0.48686E-03 2976 0.328E-02 0.253E-01 DAV: 11 -0.132734935710E+04 0.29350E-03 -0.18441E-03 2912 0.201E-02 0.889E-02 DAV: 12 -0.132734932879E+04 0.28310E-04 -0.64181E-04 2432 0.108E-02 211 F= -.13481499E+04 E0= -.13481176E+04 d E =-.167977E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132734793386E+04 0.14232E-02 -0.28494E+00 2816 0.198E+00 0.513E-01 DAV: 2 -0.132736373618E+04 -0.15802E-01 -0.13473E-01 3232 0.313E-01 0.187E+00 DAV: 3 -0.132735801791E+04 0.57183E-02 -0.21142E-01 3872 0.113E-01 0.129E+00 DAV: 4 -0.132735436196E+04 0.36560E-02 -0.56053E-02 3328 0.789E-02 0.540E-01 DAV: 5 -0.132735365464E+04 0.70732E-03 -0.14363E-02 3424 0.541E-02 0.312E-01 DAV: 6 -0.132735332319E+04 0.33145E-03 -0.39126E-03 2912 0.372E-02 0.189E-01 DAV: 7 -0.132735346042E+04 -0.13723E-03 -0.36913E-03 2880 0.305E-02 0.229E-01 DAV: 8 -0.132735331295E+04 0.14747E-03 -0.24789E-03 2944 0.243E-02 0.132E-01 DAV: 9 -0.132735333326E+04 -0.20314E-04 -0.15420E-03 2592 0.144E-02 0.974E-02 DAV: 10 -0.132735326895E+04 0.64312E-04 -0.74276E-04 2272 0.741E-03 212 F= -.13481508E+04 E0= -.13481184E+04 d E =-.177709E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132735766512E+04 -0.43319E-02 -0.15287E+00 2816 0.144E+00 0.376E-01 DAV: 2 -0.132737302673E+04 -0.15362E-01 -0.10061E-01 3264 0.245E-01 0.210E+00 DAV: 3 -0.132736129808E+04 0.11729E-01 -0.10600E-01 3712 0.952E-02 0.753E-01 DAV: 4 -0.132736194564E+04 -0.64756E-03 -0.52932E-02 3136 0.617E-02 0.641E-01 DAV: 5 -0.132736044328E+04 0.15024E-02 -0.12691E-02 3136 0.444E-02 0.173E-01 DAV: 6 -0.132736051765E+04 -0.74367E-04 -0.28236E-03 3072 0.289E-02 0.151E-01 DAV: 7 -0.132736066699E+04 -0.14934E-03 -0.50284E-03 2976 0.227E-02 0.184E-01 DAV: 8 -0.132736049428E+04 0.17272E-03 -0.22321E-03 2784 0.187E-02 0.106E-01 DAV: 9 -0.132736047079E+04 0.23490E-04 -0.59762E-04 2560 0.119E-02 213 F= -.13481561E+04 E0= -.13481240E+04 d E =-.521560E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132735397769E+04 0.65166E-02 -0.13745E+01 2816 0.433E+00 0.111E+00 DAV: 2 -0.132748127119E+04 -0.12729E+00 -0.12611E+00 3264 0.729E-01 0.595E+00 DAV: 3 -0.132738134160E+04 0.99930E-01 -0.11401E+00 3712 0.270E-01 0.173E+00 DAV: 4 -0.132739960647E+04 -0.18265E-01 -0.49702E-01 3520 0.188E-01 0.236E+00 DAV: 5 -0.132738010378E+04 0.19503E-01 -0.16802E-01 3424 0.129E-01 0.565E-01 DAV: 6 -0.132738023168E+04 -0.12789E-03 -0.30389E-02 3360 0.874E-02 0.580E-01 DAV: 7 -0.132738045835E+04 -0.22667E-03 -0.65506E-02 3168 0.609E-02 0.429E-01 DAV: 8 -0.132737975379E+04 0.70457E-03 -0.96467E-03 3232 0.568E-02 0.431E-01 DAV: 9 -0.132737906974E+04 0.68404E-03 -0.48966E-03 3296 0.379E-02 0.314E-01 DAV: 10 -0.132737885795E+04 0.21179E-03 -0.28020E-03 3040 0.224E-02 0.165E-01 DAV: 11 -0.132737875121E+04 0.10674E-03 -0.19077E-03 3008 0.148E-02 0.706E-02 DAV: 12 -0.132737873886E+04 0.12349E-04 -0.20457E-04 2272 0.831E-03 214 F= -.13481684E+04 E0= -.13481363E+04 d E =-.175366E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132730021318E+04 0.78538E-01 -0.54952E+01 2816 0.865E+00 0.217E+00 DAV: 2 -0.132771516850E+04 -0.41496E+00 -0.46752E+00 3264 0.144E+00 0.964E+00 DAV: 3 -0.132741147751E+04 0.30369E+00 -0.35309E+00 3872 0.493E-01 0.248E+00 DAV: 4 -0.132747354708E+04 -0.62070E-01 -0.16066E+00 3488 0.358E-01 0.405E+00 DAV: 5 -0.132741001360E+04 0.63533E-01 -0.67627E-01 3392 0.226E-01 0.128E+00 DAV: 6 -0.132740324713E+04 0.67665E-02 -0.11568E-01 3680 0.171E-01 0.951E-01 DAV: 7 -0.132740832734E+04 -0.50802E-02 -0.20735E-01 3328 0.135E-01 0.881E-01 DAV: 8 -0.132740480445E+04 0.35229E-02 -0.39584E-02 3552 0.107E-01 0.872E-01 DAV: 9 -0.132740215499E+04 0.26495E-02 -0.31434E-02 3488 0.739E-02 0.748E-01 DAV: 10 -0.132740026166E+04 0.18933E-02 -0.17721E-02 3264 0.531E-02 0.287E-01 DAV: 11 -0.132740008849E+04 0.17317E-03 -0.36503E-03 3200 0.307E-02 0.106E-01 DAV: 12 -0.132740006436E+04 0.24128E-04 -0.54800E-04 2720 0.154E-02 215 F= -.13481777E+04 E0= -.13481462E+04 d E =-.268647E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132740428570E+04 -0.41972E-02 -0.58374E+00 2816 0.278E+00 0.822E-01 DAV: 2 -0.132750830630E+04 -0.10402E+00 -0.97865E-01 3328 0.518E-01 0.564E+00 DAV: 3 -0.132741050062E+04 0.97806E-01 -0.81230E-01 3808 0.226E-01 0.812E-01 DAV: 4 -0.132742305254E+04 -0.12552E-01 -0.17474E-01 3232 0.126E-01 0.127E+00 DAV: 5 -0.132741719737E+04 0.58552E-02 -0.84744E-02 3264 0.842E-02 0.618E-01 DAV: 6 -0.132741461026E+04 0.25871E-02 -0.28318E-02 3168 0.561E-02 0.291E-01 DAV: 7 -0.132741495265E+04 -0.34239E-03 -0.11881E-02 3328 0.483E-02 0.340E-01 DAV: 8 -0.132741473555E+04 0.21711E-03 -0.94187E-03 3200 0.379E-02 0.279E-01 DAV: 9 -0.132741453319E+04 0.20235E-03 -0.30084E-03 2912 0.243E-02 0.140E-01 DAV: 10 -0.132741443834E+04 0.94850E-04 -0.99429E-04 2880 0.129E-02 216 F= -.13481883E+04 E0= -.13481569E+04 d E =-.105679E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132735179781E+04 0.62735E-01 -0.52427E+01 2816 0.835E+00 0.234E+00 DAV: 2 -0.132799280373E+04 -0.64101E+00 -0.75391E+00 3360 0.150E+00 0.115E+01 DAV: 3 -0.132746126015E+04 0.53154E+00 -0.39539E+00 3840 0.555E-01 0.311E+00 DAV: 4 -0.132749559060E+04 -0.34330E-01 -0.19501E+00 3424 0.320E-01 0.362E+00 DAV: 5 -0.132750642314E+04 -0.10833E-01 -0.14157E+00 3616 0.308E-01 0.307E+00 DAV: 6 -0.132745156709E+04 0.54856E-01 -0.26649E-01 3488 0.184E-01 0.103E+00 DAV: 7 -0.132744758170E+04 0.39854E-02 -0.62895E-02 3424 0.144E-01 0.944E-01 DAV: 8 -0.132744737259E+04 0.20911E-03 -0.96902E-02 3520 0.124E-01 0.872E-01 DAV: 9 -0.132744710448E+04 0.26810E-03 -0.40385E-02 3520 0.898E-02 0.836E-01 DAV: 10 -0.132744433401E+04 0.27705E-02 -0.34163E-02 3360 0.626E-02 0.237E-01 DAV: 11 -0.132744425216E+04 0.81850E-04 -0.28024E-03 2816 0.285E-02 0.142E-01 DAV: 12 -0.132744407367E+04 0.17849E-03 -0.16702E-03 2752 0.167E-02 0.102E-01 DAV: 13 -0.132744406551E+04 0.81569E-05 -0.36664E-04 2336 0.101E-02 217 F= -.13482061E+04 E0= -.13481755E+04 d E =-.283874E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132745691067E+04 -0.12837E-01 -0.12932E+00 2816 0.130E+00 0.498E-01 DAV: 2 -0.132747651979E+04 -0.19609E-01 -0.14069E-01 3360 0.246E-01 0.226E+00 DAV: 3 -0.132746184232E+04 0.14677E-01 -0.22674E-01 3776 0.116E-01 0.972E-01 DAV: 4 -0.132746097748E+04 0.86484E-03 -0.64892E-02 3168 0.749E-02 0.665E-01 DAV: 5 -0.132745965757E+04 0.13199E-02 -0.26716E-02 3296 0.597E-02 0.295E-01 DAV: 6 -0.132745915673E+04 0.50084E-03 -0.68567E-03 3168 0.346E-02 0.137E-01 DAV: 7 -0.132745920036E+04 -0.43632E-04 -0.21262E-03 2976 0.228E-02 0.138E-01 DAV: 8 -0.132745915926E+04 0.41102E-04 -0.86677E-04 2720 0.162E-02 218 F= -.13482194E+04 E0= -.13481887E+04 d E =-.133344E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132746440465E+04 -0.52043E-02 -0.76598E+00 2816 0.316E+00 0.123E+00 DAV: 2 -0.132755656385E+04 -0.92159E-01 -0.90996E-01 3296 0.590E-01 0.421E+00 DAV: 3 -0.132750420715E+04 0.52357E-01 -0.12874E+00 3808 0.271E-01 0.271E+00 DAV: 4 -0.132748485558E+04 0.19352E-01 -0.38360E-01 3552 0.178E-01 0.155E+00 DAV: 5 -0.132748094624E+04 0.39093E-02 -0.13298E-01 3616 0.145E-01 0.775E-01 DAV: 6 -0.132747775486E+04 0.31914E-02 -0.27069E-02 3552 0.865E-02 0.413E-01 DAV: 7 -0.132747867264E+04 -0.91778E-03 -0.23908E-02 3360 0.634E-02 0.575E-01 DAV: 8 -0.132747765716E+04 0.10155E-02 -0.17472E-02 3264 0.461E-02 0.225E-01 DAV: 9 -0.132747725958E+04 0.39758E-03 -0.74035E-03 2752 0.285E-02 0.134E-01 DAV: 10 -0.132747715779E+04 0.10180E-03 -0.16259E-03 2848 0.162E-02 0.515E-02 DAV: 11 -0.132747714978E+04 0.80110E-05 -0.20660E-04 2304 0.925E-03 219 F= -.13482330E+04 E0= -.13482021E+04 d E =-.269549E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132749028400E+04 -0.13126E-01 -0.19207E+00 2816 0.164E+00 0.628E-01 DAV: 2 -0.132751607237E+04 -0.25788E-01 -0.18727E-01 3264 0.294E-01 0.251E+00 DAV: 3 -0.132749861959E+04 0.17453E-01 -0.32902E-01 3840 0.139E-01 0.130E+00 DAV: 4 -0.132749637026E+04 0.22493E-02 -0.96717E-02 3296 0.945E-02 0.879E-01 DAV: 5 -0.132749377944E+04 0.25908E-02 -0.22803E-02 3424 0.738E-02 0.342E-01 DAV: 6 -0.132749368917E+04 0.90265E-04 -0.99298E-03 3072 0.393E-02 0.233E-01 DAV: 7 -0.132749366395E+04 0.25218E-04 -0.60712E-03 3008 0.308E-02 0.162E-01 DAV: 8 -0.132749354784E+04 0.11612E-03 -0.29684E-03 2912 0.185E-02 0.110E-01 DAV: 9 -0.132749353769E+04 0.10145E-04 -0.16730E-03 2464 0.120E-02 0.848E-02 DAV: 10 -0.132749348350E+04 0.54190E-04 -0.43744E-04 2176 0.842E-03 220 F= -.13482475E+04 E0= -.13482166E+04 d E =-.144548E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132749578896E+04 -0.22513E-02 -0.10509E+01 2816 0.385E+00 0.147E+00 DAV: 2 -0.132763108478E+04 -0.13530E+00 -0.13768E+00 3296 0.695E-01 0.497E+00 DAV: 3 -0.132754688815E+04 0.84197E-01 -0.17641E+00 3904 0.318E-01 0.304E+00 DAV: 4 -0.132752476026E+04 0.22128E-01 -0.41500E-01 3488 0.214E-01 0.206E+00 DAV: 5 -0.132751661638E+04 0.81439E-02 -0.11156E-01 3520 0.172E-01 0.976E-01 DAV: 6 -0.132751459701E+04 0.20194E-02 -0.41717E-02 3488 0.946E-02 0.660E-01 DAV: 7 -0.132751349378E+04 0.11032E-02 -0.26878E-02 3392 0.731E-02 0.381E-01 DAV: 8 -0.132751296968E+04 0.52410E-03 -0.92156E-03 3392 0.460E-02 0.160E-01 DAV: 9 -0.132751307250E+04 -0.10282E-03 -0.51465E-03 2912 0.264E-02 0.156E-01 DAV: 10 -0.132751290750E+04 0.16500E-03 -0.25956E-03 2656 0.145E-02 0.806E-02 DAV: 11 -0.132751286957E+04 0.37927E-04 -0.61284E-04 2432 0.110E-02 221 F= -.13482624E+04 E0= -.13482314E+04 d E =-.293438E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132752789768E+04 -0.14990E-01 -0.28882E+00 2816 0.190E+00 0.647E-01 DAV: 2 -0.132758889998E+04 -0.61002E-01 -0.47969E-01 3360 0.372E-01 0.450E+00 DAV: 3 -0.132752996644E+04 0.58934E-01 -0.46029E-01 3744 0.180E-01 0.796E-01 DAV: 4 -0.132753774536E+04 -0.77789E-02 -0.11590E-01 3072 0.978E-02 0.123E+00 DAV: 5 -0.132753206432E+04 0.56810E-02 -0.44543E-02 3200 0.712E-02 0.257E-01 DAV: 6 -0.132753268140E+04 -0.61708E-03 -0.10867E-02 3104 0.428E-02 0.324E-01 DAV: 7 -0.132753245678E+04 0.22463E-03 -0.88862E-03 3040 0.359E-02 0.203E-01 DAV: 8 -0.132753238103E+04 0.75744E-04 -0.36307E-03 2912 0.236E-02 0.148E-01 DAV: 9 -0.132753231511E+04 0.65925E-04 -0.23657E-03 2592 0.143E-02 0.925E-02 DAV: 10 -0.132753226708E+04 0.48031E-04 -0.48357E-04 2272 0.797E-03 222 F= -.13482795E+04 E0= -.13482491E+04 d E =-.171137E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132752646769E+04 0.58474E-02 -0.20393E+01 2816 0.506E+00 0.166E+00 DAV: 2 -0.132785869130E+04 -0.33222E+00 -0.36629E+00 3456 0.969E-01 0.951E+00 DAV: 3 -0.132754863730E+04 0.31005E+00 -0.27170E+00 3840 0.417E-01 0.119E+00 DAV: 4 -0.132757955005E+04 -0.30913E-01 -0.37064E-01 3360 0.223E-01 0.217E+00 DAV: 5 -0.132757469115E+04 0.48589E-02 -0.42297E-01 3552 0.178E-01 0.195E+00 DAV: 6 -0.132755851426E+04 0.16177E-01 -0.14489E-01 3328 0.104E-01 0.624E-01 DAV: 7 -0.132756478346E+04 -0.62692E-02 -0.74253E-02 3520 0.861E-02 0.129E+00 DAV: 8 -0.132755964250E+04 0.51410E-02 -0.18683E-01 3328 0.796E-02 0.411E-01 DAV: 9 -0.132755870149E+04 0.94101E-03 -0.67047E-03 3296 0.489E-02 0.252E-01 DAV: 10 -0.132755818806E+04 0.51344E-03 -0.24240E-03 3040 0.249E-02 0.170E-01 DAV: 11 -0.132755796915E+04 0.21890E-03 -0.76506E-04 2848 0.149E-02 0.807E-02 DAV: 12 -0.132755792587E+04 0.43284E-04 -0.52927E-04 2240 0.945E-03 223 F= -.13482989E+04 E0= -.13482688E+04 d E =-.364650E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132757044049E+04 -0.12471E-01 -0.66644E+00 2816 0.274E+00 0.924E-01 DAV: 2 -0.132767853352E+04 -0.10809E+00 -0.10289E+00 3296 0.532E-01 0.549E+00 DAV: 3 -0.132757817800E+04 0.10036E+00 -0.80360E-01 3712 0.234E-01 0.768E-01 DAV: 4 -0.132758462846E+04 -0.64505E-02 -0.64522E-02 3104 0.122E-01 0.787E-01 DAV: 5 -0.132758248168E+04 0.21468E-02 -0.55733E-02 3424 0.811E-02 0.694E-01 DAV: 6 -0.132758241587E+04 0.65813E-04 -0.45850E-02 3264 0.620E-02 0.573E-01 DAV: 7 -0.132758119839E+04 0.12175E-02 -0.21763E-02 3296 0.528E-02 0.196E-01 DAV: 8 -0.132758124920E+04 -0.50817E-04 -0.56339E-03 3232 0.334E-02 0.209E-01 DAV: 9 -0.132758114941E+04 0.99795E-04 -0.51289E-03 2752 0.188E-02 0.141E-01 DAV: 10 -0.132758102812E+04 0.12129E-03 -0.97002E-04 2528 0.118E-02 0.493E-02 DAV: 11 -0.132758103424E+04 -0.61266E-05 -0.13690E-04 2080 0.736E-03 224 F= -.13483185E+04 E0= -.13482886E+04 d E =-.196161E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132757670455E+04 0.43236E-02 -0.11407E+01 2816 0.359E+00 0.121E+00 DAV: 2 -0.132774576530E+04 -0.16906E+00 -0.17476E+00 3360 0.689E-01 0.669E+00 DAV: 3 -0.132759155459E+04 0.15421E+00 -0.13280E+00 3840 0.294E-01 0.918E-01 DAV: 4 -0.132760235992E+04 -0.10805E-01 -0.13257E-01 3072 0.160E-01 0.974E-01 DAV: 5 -0.132759825564E+04 0.41043E-02 -0.97918E-02 3552 0.114E-01 0.926E-01 DAV: 6 -0.132759600775E+04 0.22479E-02 -0.64753E-02 3328 0.701E-02 0.562E-01 DAV: 7 -0.132759535166E+04 0.65610E-03 -0.19909E-02 3136 0.646E-02 0.200E-01 DAV: 8 -0.132759514222E+04 0.20944E-03 -0.49210E-03 3360 0.382E-02 0.126E-01 DAV: 9 -0.132759518322E+04 -0.41009E-04 -0.27816E-03 2752 0.172E-02 0.143E-01 DAV: 10 -0.132759508139E+04 0.10184E-03 -0.16049E-03 2496 0.130E-02 0.575E-02 DAV: 11 -0.132759507401E+04 0.73753E-05 -0.16728E-04 2080 0.867E-03 225 F= -.13483277E+04 E0= -.13482978E+04 d E =-.288596E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132761404554E+04 -0.18964E-01 -0.75261E+00 2816 0.307E+00 0.805E-01 DAV: 2 -0.132763381639E+04 -0.19771E-01 -0.17536E-01 3136 0.476E-01 0.113E+00 DAV: 3 -0.132764040734E+04 -0.65910E-02 -0.91699E-02 3936 0.166E-01 0.220E+00 DAV: 4 -0.132763530261E+04 0.51047E-02 -0.21924E-01 3648 0.127E-01 0.172E+00 DAV: 5 -0.132762667455E+04 0.86281E-02 -0.12251E-01 3360 0.947E-02 0.428E-01 DAV: 6 -0.132762733726E+04 -0.66271E-03 -0.16096E-02 3424 0.662E-02 0.379E-01 DAV: 7 -0.132762765270E+04 -0.31544E-03 -0.28639E-02 3200 0.499E-02 0.276E-01 DAV: 8 -0.132762653351E+04 0.11192E-02 -0.79494E-03 2976 0.301E-02 0.968E-02 DAV: 9 -0.132762656973E+04 -0.36215E-04 -0.14225E-03 2976 0.181E-02 0.110E-01 DAV: 10 -0.132762652099E+04 0.48740E-04 -0.70001E-04 2336 0.110E-02 226 F= -.13483542E+04 E0= -.13483241E+04 d E =-.265185E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132759797911E+04 0.28591E-01 -0.37692E+01 2816 0.685E+00 0.181E+00 DAV: 2 -0.132769983517E+04 -0.10186E+00 -0.10212E+00 3232 0.107E+00 0.223E+00 DAV: 3 -0.132776000795E+04 -0.60173E-01 -0.12979E+00 4064 0.392E-01 0.527E+00 DAV: 4 -0.132766992547E+04 0.90082E-01 -0.99792E-01 3776 0.272E-01 0.189E+00 DAV: 5 -0.132767305891E+04 -0.31334E-02 -0.39024E-01 3616 0.177E-01 0.156E+00 DAV: 6 -0.132766548011E+04 0.75788E-02 -0.10647E-01 3584 0.138E-01 0.661E-01 DAV: 7 -0.132766244528E+04 0.30348E-02 -0.48843E-02 3648 0.915E-02 0.346E-01 DAV: 8 -0.132766327427E+04 -0.82899E-03 -0.32044E-02 3328 0.643E-02 0.352E-01 DAV: 9 -0.132766204754E+04 0.12267E-02 -0.75384E-03 3072 0.369E-02 0.116E-01 DAV: 10 -0.132766198925E+04 0.58292E-04 -0.10312E-03 2976 0.201E-02 0.766E-02 DAV: 11 -0.132766205882E+04 -0.69572E-04 -0.14396E-03 2848 0.136E-02 0.115E-01 DAV: 12 -0.132766197059E+04 0.88227E-04 -0.60049E-04 2272 0.958E-03 227 F= -.13483784E+04 E0= -.13483476E+04 d E =-.506337E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132767754313E+04 -0.15484E-01 -0.76817E+00 2816 0.312E+00 0.873E-01 DAV: 2 -0.132769398985E+04 -0.16447E-01 -0.18512E-01 3168 0.471E-01 0.775E-01 DAV: 3 -0.132769983595E+04 -0.58461E-02 -0.15504E-01 3872 0.156E-01 0.150E+00 DAV: 4 -0.132770034769E+04 -0.51173E-03 -0.23732E-01 3648 0.119E-01 0.180E+00 DAV: 5 -0.132769101151E+04 0.93362E-02 -0.94692E-02 3264 0.833E-02 0.526E-01 DAV: 6 -0.132769222058E+04 -0.12091E-02 -0.19161E-02 3296 0.688E-02 0.543E-01 DAV: 7 -0.132769074646E+04 0.14741E-02 -0.13685E-02 3392 0.553E-02 0.208E-01 DAV: 8 -0.132769061162E+04 0.13485E-03 -0.22764E-03 3072 0.317E-02 0.668E-02 DAV: 9 -0.132769062834E+04 -0.16722E-04 -0.39627E-04 2656 0.126E-02 228 F= -.13484013E+04 E0= -.13483710E+04 d E =-.229871E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132768552774E+04 0.50839E-02 -0.14083E+01 2816 0.423E+00 0.120E+00 DAV: 2 -0.132771645972E+04 -0.30932E-01 -0.35151E-01 3168 0.640E-01 0.107E+00 DAV: 3 -0.132773816609E+04 -0.21706E-01 -0.46464E-01 3840 0.227E-01 0.266E+00 DAV: 4 -0.132772480393E+04 0.13362E-01 -0.51328E-01 3584 0.167E-01 0.206E+00 DAV: 5 -0.132771099512E+04 0.13809E-01 -0.13814E-01 3392 0.123E-01 0.730E-01 DAV: 6 -0.132771144881E+04 -0.45368E-03 -0.23345E-02 3328 0.933E-02 0.612E-01 DAV: 7 -0.132771125229E+04 0.19652E-03 -0.27591E-02 3456 0.677E-02 0.531E-01 DAV: 8 -0.132771058791E+04 0.66438E-03 -0.33928E-02 3072 0.482E-02 0.351E-01 DAV: 9 -0.132770977167E+04 0.81624E-03 -0.61186E-03 2752 0.268E-02 0.132E-01 DAV: 10 -0.132770973034E+04 0.41325E-04 -0.43425E-04 2720 0.147E-02 229 F= -.13484128E+04 E0= -.13483825E+04 d E =-.344227E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132772272329E+04 -0.12952E-01 -0.53445E+00 2816 0.252E+00 0.935E-01 DAV: 2 -0.132777187531E+04 -0.49152E-01 -0.32939E-01 3392 0.451E-01 0.399E+00 DAV: 3 -0.132774221488E+04 0.29660E-01 -0.45635E-01 3968 0.196E-01 0.220E+00 DAV: 4 -0.132774030522E+04 0.19097E-02 -0.38922E-01 3296 0.145E-01 0.157E+00 DAV: 5 -0.132773215591E+04 0.81493E-02 -0.83790E-02 3328 0.110E-01 0.455E-01 DAV: 6 -0.132773194633E+04 0.20958E-03 -0.22201E-02 3456 0.719E-02 0.377E-01 DAV: 7 -0.132773171653E+04 0.22980E-03 -0.17607E-02 3008 0.437E-02 0.317E-01 DAV: 8 -0.132773162322E+04 0.93311E-04 -0.17873E-02 3072 0.361E-02 0.238E-01 DAV: 9 -0.132773122496E+04 0.39825E-03 -0.25157E-03 2752 0.210E-02 0.148E-01 DAV: 10 -0.132773120653E+04 0.18435E-04 -0.63492E-04 2688 0.121E-02 230 F= -.13484295E+04 E0= -.13484000E+04 d E =-.167704E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132773249196E+04 -0.12670E-02 -0.63813E+00 2816 0.276E+00 0.102E+00 DAV: 2 -0.132779573009E+04 -0.63238E-01 -0.50383E-01 3392 0.493E-01 0.464E+00 DAV: 3 -0.132775328360E+04 0.42446E-01 -0.68710E-01 3968 0.217E-01 0.224E+00 DAV: 4 -0.132775383515E+04 -0.55155E-03 -0.44423E-01 3296 0.157E-01 0.173E+00 DAV: 5 -0.132774390819E+04 0.99270E-02 -0.10187E-01 3296 0.118E-01 0.537E-01 DAV: 6 -0.132774451993E+04 -0.61174E-03 -0.52361E-02 3456 0.763E-02 0.482E-01 DAV: 7 -0.132774259693E+04 0.19230E-02 -0.17875E-02 2944 0.493E-02 0.235E-01 DAV: 8 -0.132774278434E+04 -0.18740E-03 -0.69437E-03 3232 0.393E-02 0.280E-01 DAV: 9 -0.132774259207E+04 0.19226E-03 -0.31919E-03 2944 0.237E-02 0.184E-01 DAV: 10 -0.132774250268E+04 0.89392E-04 -0.13807E-03 2624 0.130E-02 0.912E-02 DAV: 11 -0.132774248889E+04 0.13788E-04 -0.32567E-04 2144 0.819E-03 231 F= -.13484357E+04 E0= -.13484064E+04 d E =-.229318E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132775490187E+04 -0.12399E-01 -0.49288E+00 2816 0.253E+00 0.674E-01 DAV: 2 -0.132776768937E+04 -0.12788E-01 -0.14109E-01 3136 0.377E-01 0.113E+00 DAV: 3 -0.132778054556E+04 -0.12856E-01 -0.27600E-01 3904 0.138E-01 0.235E+00 DAV: 4 -0.132776490105E+04 0.15645E-01 -0.18067E-01 3392 0.116E-01 0.786E-01 DAV: 5 -0.132776291552E+04 0.19855E-02 -0.26197E-02 3232 0.640E-02 0.210E-01 DAV: 6 -0.132776398037E+04 -0.10649E-02 -0.11215E-02 3200 0.488E-02 0.426E-01 DAV: 7 -0.132776334251E+04 0.63787E-03 -0.21545E-02 3168 0.375E-02 0.216E-01 DAV: 8 -0.132776298070E+04 0.36180E-03 -0.23985E-03 2784 0.236E-02 0.930E-02 DAV: 9 -0.132776296391E+04 0.16793E-04 -0.45401E-04 2688 0.128E-02 232 F= -.13484518E+04 E0= -.13484227E+04 d E =-.161201E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132776222357E+04 0.75714E-03 -0.85171E+00 2816 0.333E+00 0.898E-01 DAV: 2 -0.132778302328E+04 -0.20800E-01 -0.23774E-01 3136 0.496E-01 0.126E+00 DAV: 3 -0.132780994841E+04 -0.26925E-01 -0.51272E-01 4032 0.185E-01 0.323E+00 DAV: 4 -0.132778223622E+04 0.27712E-01 -0.36731E-01 3552 0.156E-01 0.131E+00 DAV: 5 -0.132777673561E+04 0.55006E-02 -0.42645E-02 3424 0.928E-02 0.445E-01 DAV: 6 -0.132777777235E+04 -0.10367E-02 -0.24130E-02 3360 0.612E-02 0.562E-01 DAV: 7 -0.132777705717E+04 0.71518E-03 -0.37922E-02 3200 0.569E-02 0.277E-01 DAV: 8 -0.132777643295E+04 0.62422E-03 -0.83233E-03 3072 0.361E-02 0.220E-01 DAV: 9 -0.132777629580E+04 0.13715E-03 -0.16411E-03 2720 0.228E-02 0.941E-02 DAV: 10 -0.132777625709E+04 0.38718E-04 -0.45938E-04 2528 0.130E-02 233 F= -.13484594E+04 E0= -.13484299E+04 d E =-.237362E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132778702063E+04 -0.10725E-01 -0.58665E+00 2816 0.288E+00 0.935E-01 DAV: 2 -0.132781567559E+04 -0.28655E-01 -0.20698E-01 3392 0.481E-01 0.177E+00 DAV: 3 -0.132781780696E+04 -0.21314E-02 -0.27609E-01 3936 0.207E-01 0.258E+00 DAV: 4 -0.132780256331E+04 0.15244E-01 -0.31373E-01 3488 0.141E-01 0.139E+00 DAV: 5 -0.132779727804E+04 0.52853E-02 -0.10235E-01 3360 0.105E-01 0.530E-01 DAV: 6 -0.132779715127E+04 0.12676E-03 -0.21849E-02 3392 0.620E-02 0.385E-01 DAV: 7 -0.132779766178E+04 -0.51051E-03 -0.28523E-02 3232 0.465E-02 0.320E-01 DAV: 8 -0.132779650393E+04 0.11579E-02 -0.71397E-03 3104 0.334E-02 0.743E-02 DAV: 9 -0.132779653287E+04 -0.28945E-04 -0.34827E-04 2752 0.145E-02 234 F= -.13484752E+04 E0= -.13484455E+04 d E =-.157927E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132779829561E+04 -0.17917E-02 -0.18737E+00 2816 0.162E+00 0.537E-01 DAV: 2 -0.132780811814E+04 -0.98225E-02 -0.65958E-02 3360 0.273E-01 0.116E+00 DAV: 3 -0.132780757941E+04 0.53873E-03 -0.78130E-02 3904 0.117E-01 0.145E+00 DAV: 4 -0.132780406203E+04 0.35174E-02 -0.11233E-01 3296 0.827E-02 0.910E-01 DAV: 5 -0.132780155357E+04 0.25085E-02 -0.39754E-02 3296 0.635E-02 0.293E-01 DAV: 6 -0.132780157314E+04 -0.19568E-04 -0.85489E-03 3104 0.366E-02 0.218E-01 DAV: 7 -0.132780173842E+04 -0.16528E-03 -0.84946E-03 3040 0.284E-02 0.186E-01 DAV: 8 -0.132780140118E+04 0.33724E-03 -0.32728E-03 2944 0.196E-02 0.656E-02 DAV: 9 -0.132780142542E+04 -0.24232E-04 -0.10082E-03 2432 0.112E-02 0.682E-02 DAV: 10 -0.132780138605E+04 0.39365E-04 -0.27092E-04 2080 0.660E-03 235 F= -.13484776E+04 E0= -.13484476E+04 d E =-.181184E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132781280638E+04 -0.11381E-01 -0.31076E+00 2816 0.213E+00 0.567E-01 DAV: 2 -0.132782151262E+04 -0.87062E-02 -0.90408E-02 3296 0.330E-01 0.898E-01 DAV: 3 -0.132782030164E+04 0.12110E-02 -0.67864E-02 3776 0.113E-01 0.781E-01 DAV: 4 -0.132782114845E+04 -0.84681E-03 -0.64064E-02 3328 0.800E-02 0.104E+00 DAV: 5 -0.132781789756E+04 0.32509E-02 -0.31655E-02 3360 0.514E-02 0.262E-01 DAV: 6 -0.132781907119E+04 -0.11736E-02 -0.15895E-02 3008 0.408E-02 0.284E-01 DAV: 7 -0.132781795611E+04 0.11151E-02 -0.78878E-03 2880 0.287E-02 0.102E-01 DAV: 8 -0.132781792996E+04 0.26152E-04 -0.10185E-03 2688 0.160E-02 0.631E-02 DAV: 9 -0.132781792810E+04 0.18657E-05 -0.32705E-04 2240 0.891E-03 236 F= -.13484903E+04 E0= -.13484607E+04 d E =-.127571E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132781946114E+04 -0.15312E-02 -0.54909E+00 2816 0.283E+00 0.746E-01 DAV: 2 -0.132783536104E+04 -0.15900E-01 -0.17016E-01 3296 0.441E-01 0.123E+00 DAV: 3 -0.132783309838E+04 0.22627E-02 -0.14959E-01 3808 0.152E-01 0.112E+00 DAV: 4 -0.132784101198E+04 -0.79136E-02 -0.19099E-01 3360 0.117E-01 0.193E+00 DAV: 5 -0.132782805921E+04 0.12953E-01 -0.86936E-02 3424 0.877E-02 0.262E-01 DAV: 6 -0.132783083388E+04 -0.27747E-02 -0.36093E-02 3136 0.549E-02 0.371E-01 DAV: 7 -0.132782861659E+04 0.22173E-02 -0.96619E-03 3008 0.394E-02 0.157E-01 DAV: 8 -0.132782853497E+04 0.81621E-04 -0.22345E-03 3104 0.219E-02 0.114E-01 DAV: 9 -0.132782848524E+04 0.49736E-04 -0.10590E-03 2720 0.130E-02 0.515E-02 DAV: 10 -0.132782847387E+04 0.11366E-04 -0.14702E-04 2176 0.737E-03 237 F= -.13484958E+04 E0= -.13484662E+04 d E =-.182454E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132783927797E+04 -0.10793E-01 -0.24241E+00 2816 0.190E+00 0.509E-01 DAV: 2 -0.132784758909E+04 -0.83111E-02 -0.96284E-02 3296 0.294E-01 0.106E+00 DAV: 3 -0.132785048990E+04 -0.29008E-02 -0.17486E-01 3872 0.110E-01 0.146E+00 DAV: 4 -0.132784622460E+04 0.42653E-02 -0.65589E-02 3296 0.836E-02 0.806E-01 DAV: 5 -0.132784321937E+04 0.30052E-02 -0.81935E-03 3328 0.629E-02 0.170E-01 DAV: 6 -0.132784382872E+04 -0.60935E-03 -0.86834E-03 2880 0.358E-02 0.288E-01 DAV: 7 -0.132784340272E+04 0.42600E-03 -0.48065E-03 2912 0.276E-02 0.901E-02 DAV: 8 -0.132784347255E+04 -0.69830E-04 -0.19810E-03 2656 0.151E-02 0.943E-02 DAV: 9 -0.132784339217E+04 0.80379E-04 -0.73660E-04 2272 0.895E-03 238 F= -.13485068E+04 E0= -.13484771E+04 d E =-.109466E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132784432116E+04 -0.84861E-03 -0.10064E+01 2816 0.386E+00 0.104E+00 DAV: 2 -0.132787723964E+04 -0.32918E-01 -0.38398E-01 3296 0.597E-01 0.204E+00 DAV: 3 -0.132789107446E+04 -0.13835E-01 -0.70781E-01 3936 0.224E-01 0.281E+00 DAV: 4 -0.132787187305E+04 0.19201E-01 -0.25806E-01 3456 0.166E-01 0.138E+00 DAV: 5 -0.132786105301E+04 0.10820E-01 -0.29715E-02 3584 0.126E-01 0.346E-01 DAV: 6 -0.132786296127E+04 -0.19083E-02 -0.32359E-02 3200 0.723E-02 0.575E-01 DAV: 7 -0.132786140442E+04 0.15568E-02 -0.17015E-02 3200 0.527E-02 0.199E-01 DAV: 8 -0.132786161089E+04 -0.20647E-03 -0.64001E-03 3008 0.315E-02 0.170E-01 DAV: 9 -0.132786134904E+04 0.26186E-03 -0.31986E-03 2784 0.172E-02 0.808E-02 DAV: 10 -0.132786133223E+04 0.16802E-04 -0.65218E-04 2496 0.123E-02 239 F= -.13485165E+04 E0= -.13484874E+04 d E =-.207370E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132787177956E+04 -0.10431E-01 -0.37971E+00 2816 0.237E+00 0.706E-01 DAV: 2 -0.132788885836E+04 -0.17079E-01 -0.12599E-01 3296 0.384E-01 0.155E+00 DAV: 3 -0.132789080913E+04 -0.19508E-02 -0.24359E-01 4000 0.153E-01 0.189E+00 DAV: 4 -0.132788153175E+04 0.92774E-02 -0.17607E-01 3456 0.115E-01 0.911E-01 DAV: 5 -0.132787845954E+04 0.30722E-02 -0.37156E-02 3488 0.777E-02 0.309E-01 DAV: 6 -0.132787908930E+04 -0.62976E-03 -0.10586E-02 3232 0.491E-02 0.309E-01 DAV: 7 -0.132787924314E+04 -0.15384E-03 -0.22459E-02 2880 0.347E-02 0.242E-01 DAV: 8 -0.132787851581E+04 0.72733E-03 -0.41418E-03 2912 0.239E-02 0.102E-01 DAV: 9 -0.132787849503E+04 0.20779E-04 -0.10193E-03 2944 0.134E-02 0.860E-02 DAV: 10 -0.132787845978E+04 0.35246E-04 -0.40335E-04 2304 0.879E-03 240 F= -.13485288E+04 E0= -.13484992E+04 d E =-.122122E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132788120664E+04 -0.27116E-02 -0.24751E+00 2816 0.191E+00 0.571E-01 DAV: 2 -0.132789155066E+04 -0.10344E-01 -0.74948E-02 3296 0.308E-01 0.118E+00 DAV: 3 -0.132789403688E+04 -0.24862E-02 -0.13718E-01 3968 0.122E-01 0.161E+00 DAV: 4 -0.132788814498E+04 0.58919E-02 -0.13315E-01 3424 0.957E-02 0.844E-01 DAV: 5 -0.132788545537E+04 0.26896E-02 -0.32814E-02 3424 0.660E-02 0.235E-01 DAV: 6 -0.132788599023E+04 -0.53486E-03 -0.73685E-03 3200 0.411E-02 0.254E-01 DAV: 7 -0.132788604257E+04 -0.52344E-04 -0.14389E-02 2848 0.286E-02 0.198E-01 DAV: 8 -0.132788556257E+04 0.48000E-03 -0.28765E-03 2784 0.195E-02 0.736E-02 DAV: 9 -0.132788555781E+04 0.47605E-05 -0.54005E-04 2720 0.103E-02 241 F= -.13485319E+04 E0= -.13485022E+04 d E =-.153158E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132789420342E+04 -0.86409E-02 -0.43999E+00 2816 0.254E+00 0.641E-01 DAV: 2 -0.132790558681E+04 -0.11383E-01 -0.12327E-01 3200 0.385E-01 0.792E-01 DAV: 3 -0.132790641579E+04 -0.82898E-03 -0.12769E-01 3840 0.119E-01 0.763E-01 DAV: 4 -0.132790772203E+04 -0.13062E-02 -0.84331E-02 3328 0.876E-02 0.127E+00 DAV: 5 -0.132790209471E+04 0.56273E-02 -0.48930E-02 3328 0.594E-02 0.340E-01 DAV: 6 -0.132790304683E+04 -0.95212E-03 -0.15280E-02 3008 0.440E-02 0.482E-01 DAV: 7 -0.132790207553E+04 0.97130E-03 -0.12945E-02 3136 0.451E-02 0.198E-01 DAV: 8 -0.132790191938E+04 0.15614E-03 -0.24721E-03 2976 0.249E-02 0.774E-02 DAV: 9 -0.132790194372E+04 -0.24338E-04 -0.80512E-04 2592 0.123E-02 242 F= -.13485441E+04 E0= -.13485144E+04 d E =-.122365E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132789943382E+04 0.24856E-02 -0.86469E+00 2816 0.356E+00 0.909E-01 DAV: 2 -0.132792231593E+04 -0.22882E-01 -0.25048E-01 3200 0.541E-01 0.119E+00 DAV: 3 -0.132792587971E+04 -0.35638E-02 -0.33134E-01 3840 0.170E-01 0.138E+00 DAV: 4 -0.132794248384E+04 -0.16604E-01 -0.32447E-01 3520 0.142E-01 0.275E+00 DAV: 5 -0.132791576646E+04 0.26717E-01 -0.12425E-01 3424 0.114E-01 0.517E-01 DAV: 6 -0.132791492588E+04 0.84057E-03 -0.21944E-02 3072 0.596E-02 0.355E-01 DAV: 7 -0.132791665847E+04 -0.17326E-02 -0.21197E-02 3360 0.633E-02 0.564E-01 DAV: 8 -0.132791461142E+04 0.20471E-02 -0.16805E-02 3360 0.415E-02 0.909E-02 DAV: 9 -0.132791461824E+04 -0.68175E-05 -0.95511E-04 2688 0.203E-02 243 F= -.13485509E+04 E0= -.13485210E+04 d E =-.190121E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132792423276E+04 -0.96213E-02 -0.33938E+00 2816 0.225E+00 0.606E-01 DAV: 2 -0.132794100008E+04 -0.16767E-01 -0.11423E-01 3392 0.360E-01 0.186E+00 DAV: 3 -0.132793599553E+04 0.50046E-02 -0.12199E-01 3936 0.131E-01 0.144E+00 DAV: 4 -0.132793532447E+04 0.67106E-03 -0.16848E-01 3232 0.973E-02 0.117E+00 DAV: 5 -0.132793015333E+04 0.51711E-02 -0.51309E-02 3328 0.784E-02 0.314E-01 DAV: 6 -0.132793030791E+04 -0.15457E-03 -0.10799E-02 3296 0.447E-02 0.255E-01 DAV: 7 -0.132793030528E+04 0.26295E-05 -0.54329E-03 3136 0.342E-02 0.167E-01 DAV: 8 -0.132793031361E+04 -0.83333E-05 -0.57265E-03 2944 0.237E-02 0.133E-01 DAV: 9 -0.132793013130E+04 0.18231E-03 -0.15425E-03 2592 0.131E-02 0.539E-02 DAV: 10 -0.132793012586E+04 0.54412E-05 -0.91443E-05 2016 0.673E-03 244 F= -.13485625E+04 E0= -.13485328E+04 d E =-.116213E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132792358205E+04 0.65493E-02 -0.14137E+01 2816 0.460E+00 0.121E+00 DAV: 2 -0.132799378509E+04 -0.70203E-01 -0.54830E-01 3424 0.728E-01 0.412E+00 DAV: 3 -0.132796499006E+04 0.28795E-01 -0.59619E-01 3968 0.252E-01 0.245E+00 DAV: 4 -0.132797347211E+04 -0.84820E-02 -0.66822E-01 3520 0.195E-01 0.251E+00 DAV: 5 -0.132794857713E+04 0.24895E-01 -0.22343E-01 3552 0.157E-01 0.624E-01 DAV: 6 -0.132794916410E+04 -0.58697E-03 -0.43857E-02 3520 0.928E-02 0.603E-01 DAV: 7 -0.132794853551E+04 0.62859E-03 -0.24156E-02 3296 0.661E-02 0.346E-01 DAV: 8 -0.132794895675E+04 -0.42124E-03 -0.25697E-02 3328 0.520E-02 0.300E-01 DAV: 9 -0.132794803977E+04 0.91698E-03 -0.66316E-03 2816 0.289E-02 0.160E-01 DAV: 10 -0.132794798171E+04 0.58062E-04 -0.73652E-04 2944 0.177E-02 245 F= -.13485723E+04 E0= -.13485429E+04 d E =-.213841E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132795694932E+04 -0.89095E-02 -0.53644E+00 2816 0.283E+00 0.663E-01 DAV: 2 -0.132796806369E+04 -0.11114E-01 -0.12509E-01 3168 0.411E-01 0.563E-01 DAV: 3 -0.132798550268E+04 -0.17439E-01 -0.22870E-01 3936 0.144E-01 0.225E+00 DAV: 4 -0.132796718122E+04 0.18321E-01 -0.15498E-01 3616 0.108E-01 0.578E-01 DAV: 5 -0.132796701204E+04 0.16918E-03 -0.80916E-03 3232 0.621E-02 0.379E-01 DAV: 6 -0.132796722323E+04 -0.21119E-03 -0.96616E-03 3168 0.610E-02 0.273E-01 DAV: 7 -0.132796710835E+04 0.11488E-03 -0.91399E-03 3328 0.397E-02 0.235E-01 DAV: 8 -0.132796673726E+04 0.37109E-03 -0.72020E-03 2816 0.221E-02 0.103E-01 DAV: 9 -0.132796666899E+04 0.68271E-04 -0.65528E-04 2400 0.144E-02 246 F= -.13485858E+04 E0= -.13485560E+04 d E =-.135395E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132796375760E+04 0.29797E-02 -0.93560E+00 2816 0.373E+00 0.880E-01 DAV: 2 -0.132798377969E+04 -0.20022E-01 -0.22477E-01 3200 0.543E-01 0.865E-01 DAV: 3 -0.132801857470E+04 -0.34795E-01 -0.45943E-01 3840 0.197E-01 0.314E+00 DAV: 4 -0.132798167353E+04 0.36901E-01 -0.24221E-01 3616 0.147E-01 0.752E-01 DAV: 5 -0.132798107242E+04 0.60111E-03 -0.20000E-02 3392 0.833E-02 0.443E-01 DAV: 6 -0.132798179958E+04 -0.72716E-03 -0.21634E-02 3360 0.791E-02 0.385E-01 DAV: 7 -0.132798126348E+04 0.53610E-03 -0.15614E-02 3488 0.507E-02 0.274E-01 DAV: 8 -0.132798079756E+04 0.46592E-03 -0.90249E-03 3072 0.317E-02 0.134E-01 DAV: 9 -0.132798068723E+04 0.11034E-03 -0.15494E-03 2784 0.184E-02 0.725E-02 DAV: 10 -0.132798067591E+04 0.11318E-04 -0.43276E-04 2496 0.122E-02 247 F= -.13485929E+04 E0= -.13485633E+04 d E =-.206177E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132799006047E+04 -0.93732E-02 -0.87834E+00 2816 0.360E+00 0.109E+00 DAV: 2 -0.132806684730E+04 -0.76787E-01 -0.63125E-01 3392 0.634E-01 0.340E+00 DAV: 3 -0.132802998277E+04 0.36865E-01 -0.92672E-01 3712 0.258E-01 0.255E+00 DAV: 4 -0.132800677270E+04 0.23210E-01 -0.31436E-01 3488 0.167E-01 0.909E-01 DAV: 5 -0.132800650530E+04 0.26740E-03 -0.44265E-02 3584 0.120E-01 0.622E-01 DAV: 6 -0.132800511909E+04 0.13862E-02 -0.25826E-02 3488 0.714E-02 0.382E-01 DAV: 7 -0.132800500331E+04 0.11577E-03 -0.15317E-02 3296 0.586E-02 0.261E-01 DAV: 8 -0.132800460085E+04 0.40247E-03 -0.37692E-03 3264 0.383E-02 0.953E-02 DAV: 9 -0.132800463902E+04 -0.38178E-04 -0.32208E-04 2656 0.156E-02 248 F= -.13486103E+04 E0= -.13485800E+04 d E =-.174725E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132799718598E+04 0.74149E-02 -0.15500E+01 2816 0.477E+00 0.146E+00 DAV: 2 -0.132813685333E+04 -0.13967E+00 -0.12905E+00 3392 0.853E-01 0.437E+00 DAV: 3 -0.132807169947E+04 0.65154E-01 -0.16908E+00 3776 0.348E-01 0.341E+00 DAV: 4 -0.132802483903E+04 0.46860E-01 -0.51065E-01 3584 0.226E-01 0.106E+00 DAV: 5 -0.132802615492E+04 -0.13159E-02 -0.65944E-02 3488 0.157E-01 0.822E-01 DAV: 6 -0.132802379227E+04 0.23627E-02 -0.38667E-02 3456 0.969E-02 0.529E-01 DAV: 7 -0.132802348475E+04 0.30753E-03 -0.30515E-02 3232 0.758E-02 0.389E-01 DAV: 8 -0.132802275918E+04 0.72557E-03 -0.78677E-03 3424 0.523E-02 0.163E-01 DAV: 9 -0.132802274984E+04 0.93378E-05 -0.49274E-04 2560 0.237E-02 249 F= -.13486197E+04 E0= -.13485894E+04 d E =-.268089E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132803071642E+04 -0.79572E-02 -0.84291E+00 2816 0.352E+00 0.816E-01 DAV: 2 -0.132804898955E+04 -0.18273E-01 -0.18817E-01 3232 0.509E-01 0.838E-01 DAV: 3 -0.132808225296E+04 -0.33263E-01 -0.32838E-01 3968 0.179E-01 0.336E+00 DAV: 4 -0.132804604601E+04 0.36207E-01 -0.21973E-01 3680 0.142E-01 0.547E-01 DAV: 5 -0.132804717917E+04 -0.11332E-02 -0.39382E-02 3232 0.898E-02 0.353E-01 DAV: 6 -0.132804749645E+04 -0.31728E-03 -0.22159E-02 3232 0.641E-02 0.459E-01 DAV: 7 -0.132804660435E+04 0.89210E-03 -0.18903E-02 3296 0.548E-02 0.299E-01 DAV: 8 -0.132804621057E+04 0.39378E-03 -0.53163E-03 3232 0.368E-02 0.126E-01 DAV: 9 -0.132804618806E+04 0.22504E-04 -0.16322E-03 2624 0.180E-02 0.585E-02 DAV: 10 -0.132804615461E+04 0.33453E-04 -0.45357E-04 2176 0.116E-02 250 F= -.13486364E+04 E0= -.13486056E+04 d E =-.167452E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132803678703E+04 0.94010E-02 -0.14677E+01 2816 0.464E+00 0.108E+00 DAV: 2 -0.132807406269E+04 -0.37276E-01 -0.36165E-01 3168 0.677E-01 0.174E+00 DAV: 3 -0.132811000128E+04 -0.35939E-01 -0.65532E-01 4000 0.234E-01 0.364E+00 DAV: 4 -0.132806430106E+04 0.45700E-01 -0.23210E-01 3712 0.172E-01 0.790E-01 DAV: 5 -0.132806377971E+04 0.52135E-03 -0.35243E-02 3488 0.980E-02 0.441E-01 DAV: 6 -0.132806495726E+04 -0.11776E-02 -0.24033E-02 3392 0.875E-02 0.509E-01 DAV: 7 -0.132806359393E+04 0.13633E-02 -0.20854E-02 3392 0.619E-02 0.264E-01 DAV: 8 -0.132806360338E+04 -0.94494E-05 -0.48240E-03 3136 0.366E-02 0.163E-01 DAV: 9 -0.132806342209E+04 0.18129E-03 -0.20999E-03 2784 0.241E-02 0.627E-02 DAV: 10 -0.132806338629E+04 0.35806E-04 -0.48631E-04 2176 0.133E-02 251 F= -.13486448E+04 E0= -.13486136E+04 d E =-.251216E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132807003839E+04 -0.66163E-02 -0.10039E+01 2816 0.381E+00 0.104E+00 DAV: 2 -0.132817041558E+04 -0.10038E+00 -0.96103E-01 3360 0.642E-01 0.553E+00 DAV: 3 -0.132808631193E+04 0.84104E-01 -0.94443E-01 3808 0.243E-01 0.121E+00 DAV: 4 -0.132810835356E+04 -0.22042E-01 -0.34095E-01 3424 0.180E-01 0.223E+00 DAV: 5 -0.132808753546E+04 0.20818E-01 -0.16845E-01 3520 0.125E-01 0.385E-01 DAV: 6 -0.132808907652E+04 -0.15411E-02 -0.28925E-02 3072 0.888E-02 0.516E-01 DAV: 7 -0.132808870704E+04 0.36949E-03 -0.37612E-02 3296 0.594E-02 0.318E-01 DAV: 8 -0.132808781273E+04 0.89430E-03 -0.91928E-03 3040 0.407E-02 0.208E-01 DAV: 9 -0.132808779580E+04 0.16939E-04 -0.22929E-03 2976 0.246E-02 0.105E-01 DAV: 10 -0.132808771153E+04 0.84264E-04 -0.45337E-04 2432 0.172E-02 252 F= -.13486618E+04 E0= -.13486302E+04 d E =-.169955E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132808501496E+04 0.27808E-02 -0.85461E+00 2816 0.352E+00 0.973E-01 DAV: 2 -0.132817336721E+04 -0.88352E-01 -0.81985E-01 3392 0.599E-01 0.520E+00 DAV: 3 -0.132809912239E+04 0.74245E-01 -0.80954E-01 3840 0.229E-01 0.117E+00 DAV: 4 -0.132811784964E+04 -0.18727E-01 -0.31715E-01 3424 0.180E-01 0.201E+00 DAV: 5 -0.132810145834E+04 0.16391E-01 -0.14940E-01 3552 0.122E-01 0.431E-01 DAV: 6 -0.132810098437E+04 0.47397E-03 -0.25097E-02 3200 0.846E-02 0.409E-01 DAV: 7 -0.132810100717E+04 -0.22797E-04 -0.33380E-02 3264 0.652E-02 0.276E-01 DAV: 8 -0.132810014608E+04 0.86109E-03 -0.10295E-02 3008 0.514E-02 0.162E-01 DAV: 9 -0.132810008509E+04 0.60984E-04 -0.27175E-03 3008 0.241E-02 0.116E-01 DAV: 10 -0.132810006448E+04 0.20612E-04 -0.12955E-03 2560 0.184E-02 0.889E-02 DAV: 11 -0.132809999388E+04 0.70599E-04 -0.28910E-04 2176 0.128E-02 253 F= -.13486673E+04 E0= -.13486356E+04 d E =-.225080E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132810621469E+04 -0.61502E-02 -0.10436E+01 2816 0.391E+00 0.108E+00 DAV: 2 -0.132813994137E+04 -0.33727E-01 -0.39671E-01 3456 0.608E-01 0.193E+00 DAV: 3 -0.132815732852E+04 -0.17387E-01 -0.63971E-01 3872 0.224E-01 0.316E+00 DAV: 4 -0.132813715888E+04 0.20170E-01 -0.47756E-01 3328 0.169E-01 0.199E+00 DAV: 5 -0.132812572110E+04 0.11438E-01 -0.11360E-01 3456 0.128E-01 0.553E-01 DAV: 6 -0.132812538134E+04 0.33976E-03 -0.22061E-02 3264 0.776E-02 0.389E-01 DAV: 7 -0.132812498610E+04 0.39523E-03 -0.84892E-03 3200 0.625E-02 0.280E-01 DAV: 8 -0.132812495026E+04 0.35844E-04 -0.59003E-03 3360 0.431E-02 0.230E-01 DAV: 9 -0.132812507504E+04 -0.12478E-03 -0.90893E-03 3008 0.347E-02 0.220E-01 DAV: 10 -0.132812465256E+04 0.42247E-03 -0.21870E-03 2656 0.200E-02 0.532E-02 DAV: 11 -0.132812463772E+04 0.14842E-04 -0.21848E-04 2208 0.102E-02 254 F= -.13486844E+04 E0= -.13486525E+04 d E =-.170834E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132812430985E+04 0.34271E-03 -0.51436E+00 2816 0.275E+00 0.763E-01 DAV: 2 -0.132814108694E+04 -0.16777E-01 -0.19718E-01 3424 0.428E-01 0.134E+00 DAV: 3 -0.132815078423E+04 -0.96973E-02 -0.33082E-01 3872 0.164E-01 0.235E+00 DAV: 4 -0.132813942714E+04 0.11357E-01 -0.23544E-01 3264 0.123E-01 0.139E+00 DAV: 5 -0.132813388169E+04 0.55454E-02 -0.45481E-02 3360 0.913E-02 0.404E-01 DAV: 6 -0.132813367113E+04 0.21057E-03 -0.92851E-03 3232 0.558E-02 0.275E-01 DAV: 7 -0.132813364717E+04 0.23957E-04 -0.49445E-03 3136 0.459E-02 0.220E-01 DAV: 8 -0.132813353971E+04 0.10747E-03 -0.31274E-03 3072 0.324E-02 0.146E-01 DAV: 9 -0.132813356133E+04 -0.21623E-04 -0.34006E-03 2624 0.233E-02 0.133E-01 DAV: 10 -0.132813340764E+04 0.15369E-03 -0.85354E-04 2304 0.125E-02 0.340E-02 DAV: 11 -0.132813340306E+04 0.45853E-05 -0.57862E-05 2112 0.754E-03 255 F= -.13486879E+04 E0= -.13486558E+04 d E =-.205432E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132814071819E+04 -0.73105E-02 -0.93873E+00 2816 0.374E+00 0.961E-01 DAV: 2 -0.132819644730E+04 -0.55729E-01 -0.45605E-01 3392 0.609E-01 0.288E+00 DAV: 3 -0.132817793655E+04 0.18511E-01 -0.65341E-01 3808 0.231E-01 0.227E+00 DAV: 4 -0.132816278608E+04 0.15150E-01 -0.29959E-01 3584 0.170E-01 0.120E+00 DAV: 5 -0.132815846752E+04 0.43186E-02 -0.10327E-01 3648 0.118E-01 0.478E-01 DAV: 6 -0.132815754383E+04 0.92369E-03 -0.18743E-02 3424 0.743E-02 0.388E-01 DAV: 7 -0.132815734903E+04 0.19480E-03 -0.12076E-02 3392 0.503E-02 0.303E-01 DAV: 8 -0.132815708620E+04 0.26283E-03 -0.54876E-03 3136 0.407E-02 0.121E-01 DAV: 9 -0.132815715823E+04 -0.72030E-04 -0.24290E-03 2688 0.275E-02 0.910E-02 DAV: 10 -0.132815700725E+04 0.15098E-03 -0.89956E-04 2304 0.151E-02 0.322E-02 DAV: 11 -0.132815701395E+04 -0.66960E-05 -0.12722E-04 2144 0.679E-03 256 F= -.13487047E+04 E0= -.13486723E+04 d E =-.168846E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132815839937E+04 -0.13921E-02 -0.55970E+00 2816 0.289E+00 0.746E-01 DAV: 2 -0.132819384099E+04 -0.35442E-01 -0.26931E-01 3456 0.470E-01 0.245E+00 DAV: 3 -0.132817937743E+04 0.14464E-01 -0.39951E-01 3872 0.178E-01 0.174E+00 DAV: 4 -0.132817189933E+04 0.74781E-02 -0.18070E-01 3488 0.137E-01 0.940E-01 DAV: 5 -0.132816868510E+04 0.32142E-02 -0.44357E-02 3552 0.909E-02 0.389E-01 DAV: 6 -0.132816844552E+04 0.23958E-03 -0.12905E-02 3360 0.515E-02 0.285E-01 DAV: 7 -0.132816854295E+04 -0.97434E-04 -0.85076E-03 3072 0.396E-02 0.240E-01 DAV: 8 -0.132816818382E+04 0.35913E-03 -0.35872E-03 2976 0.331E-02 0.763E-02 DAV: 9 -0.132816820409E+04 -0.20270E-04 -0.30409E-04 2496 0.151E-02 257 F= -.13487108E+04 E0= -.13486781E+04 d E =-.228959E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132813372846E+04 0.34455E-01 -0.22355E+01 2816 0.577E+00 0.151E+00 DAV: 2 -0.132825782193E+04 -0.12409E+00 -0.12996E+00 3392 0.965E-01 0.378E+00 DAV: 3 -0.132824171147E+04 0.16110E-01 -0.17085E+00 3808 0.376E-01 0.373E+00 DAV: 4 -0.132818657457E+04 0.55137E-01 -0.69570E-01 3680 0.259E-01 0.181E+00 DAV: 5 -0.132817690151E+04 0.96731E-02 -0.29636E-01 3552 0.186E-01 0.741E-01 DAV: 6 -0.132817670425E+04 0.19726E-03 -0.59677E-02 3296 0.137E-01 0.840E-01 DAV: 7 -0.132817352798E+04 0.31763E-02 -0.73966E-02 3232 0.108E-01 0.381E-01 DAV: 8 -0.132817335514E+04 0.17284E-03 -0.20088E-02 3296 0.923E-02 0.412E-01 DAV: 9 -0.132817222144E+04 0.11337E-02 -0.56442E-03 3328 0.540E-02 0.201E-01 DAV: 10 -0.132817216321E+04 0.58229E-04 -0.18385E-03 3072 0.237E-02 0.875E-02 DAV: 11 -0.132817203568E+04 0.12753E-03 -0.72854E-04 2464 0.194E-02 0.520E-02 DAV: 12 -0.132817203678E+04 -0.10973E-05 -0.34591E-04 2176 0.102E-02 258 F= -.13487043E+04 E0= -.13486711E+04 d E =-.164374E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132814891370E+04 0.23122E-01 -0.12963E+01 2816 0.440E+00 0.111E+00 DAV: 2 -0.132823130454E+04 -0.82391E-01 -0.73721E-01 3424 0.700E-01 0.455E+00 DAV: 3 -0.132818042893E+04 0.50876E-01 -0.76597E-01 3936 0.248E-01 0.199E+00 DAV: 4 -0.132819544059E+04 -0.15012E-01 -0.56232E-01 3552 0.211E-01 0.234E+00 DAV: 5 -0.132817338283E+04 0.22058E-01 -0.18724E-01 3616 0.149E-01 0.494E-01 DAV: 6 -0.132817179669E+04 0.15861E-02 -0.19017E-02 3488 0.988E-02 0.344E-01 DAV: 7 -0.132817275713E+04 -0.96044E-03 -0.20575E-02 3296 0.797E-02 0.431E-01 DAV: 8 -0.132817186738E+04 0.88976E-03 -0.10892E-02 3232 0.632E-02 0.224E-01 DAV: 9 -0.132817162757E+04 0.23981E-03 -0.73881E-03 2976 0.352E-02 0.196E-01 DAV: 10 -0.132817148568E+04 0.14190E-03 -0.43535E-03 2816 0.207E-02 0.100E-01 DAV: 11 -0.132817138573E+04 0.99943E-04 -0.71648E-04 2496 0.149E-02 259 F= -.13487115E+04 E0= -.13486789E+04 d E =-.236159E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132817210613E+04 -0.62046E-03 -0.14113E+01 2816 0.459E+00 0.124E+00 DAV: 2 -0.132821644523E+04 -0.44339E-01 -0.54317E-01 3488 0.725E-01 0.175E+00 DAV: 3 -0.132821169663E+04 0.47486E-02 -0.40662E-01 3808 0.256E-01 0.179E+00 DAV: 4 -0.132823111707E+04 -0.19420E-01 -0.59889E-01 3456 0.208E-01 0.313E+00 DAV: 5 -0.132819694164E+04 0.34175E-01 -0.27048E-01 3552 0.146E-01 0.612E-01 DAV: 6 -0.132819947264E+04 -0.25310E-02 -0.74086E-02 3072 0.121E-01 0.635E-01 DAV: 7 -0.132819903596E+04 0.43668E-03 -0.24825E-02 3552 0.714E-02 0.416E-01 DAV: 8 -0.132819724123E+04 0.17947E-02 -0.34556E-02 3168 0.636E-02 0.270E-01 DAV: 9 -0.132819638604E+04 0.85520E-03 -0.70019E-03 3008 0.424E-02 0.182E-01 DAV: 10 -0.132819626414E+04 0.12189E-03 -0.20001E-03 2944 0.246E-02 0.872E-02 DAV: 11 -0.132819623777E+04 0.26369E-04 -0.35795E-04 2624 0.119E-02 260 F= -.13487289E+04 E0= -.13486959E+04 d E =-.174717E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132819722614E+04 -0.96199E-03 -0.10802E+00 2816 0.127E+00 0.348E-01 DAV: 2 -0.132820107097E+04 -0.38448E-02 -0.41432E-02 3456 0.202E-01 0.542E-01 DAV: 3 -0.132820011826E+04 0.95272E-03 -0.36550E-02 3456 0.756E-02 0.527E-01 DAV: 4 -0.132820278819E+04 -0.26699E-02 -0.48041E-02 3072 0.587E-02 0.102E+00 DAV: 5 -0.132819906754E+04 0.37206E-02 -0.21944E-02 2976 0.483E-02 0.127E-01 DAV: 6 -0.132819934522E+04 -0.27767E-03 -0.32076E-03 2752 0.308E-02 0.146E-01 DAV: 7 -0.132819918020E+04 0.16501E-03 -0.12858E-03 2848 0.231E-02 0.108E-01 DAV: 8 -0.132819914773E+04 0.32473E-04 -0.10632E-03 2176 0.120E-02 0.521E-02 DAV: 9 -0.132819913492E+04 0.12814E-04 -0.26613E-04 2112 0.710E-03 261 F= -.13487298E+04 E0= -.13486966E+04 d E =-.183404E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132820396481E+04 -0.48171E-02 -0.63273E+00 2816 0.312E+00 0.951E-01 DAV: 2 -0.132829087293E+04 -0.86908E-01 -0.80147E-01 3520 0.547E-01 0.524E+00 DAV: 3 -0.132821424335E+04 0.76630E-01 -0.82727E-01 3840 0.230E-01 0.123E+00 DAV: 4 -0.132823281036E+04 -0.18567E-01 -0.33339E-01 3552 0.157E-01 0.211E+00 DAV: 5 -0.132821428818E+04 0.18522E-01 -0.14211E-01 3488 0.113E-01 0.376E-01 DAV: 6 -0.132821551908E+04 -0.12309E-02 -0.19118E-02 3104 0.633E-02 0.408E-01 DAV: 7 -0.132821534236E+04 0.17672E-03 -0.18622E-02 2976 0.552E-02 0.299E-01 DAV: 8 -0.132821485380E+04 0.48857E-03 -0.47694E-03 3072 0.417E-02 0.201E-01 DAV: 9 -0.132821478308E+04 0.70721E-04 -0.20000E-03 2816 0.271E-02 0.114E-01 DAV: 10 -0.132821470104E+04 0.82039E-04 -0.52116E-04 2624 0.167E-02 262 F= -.13487425E+04 E0= -.13487099E+04 d E =-.126623E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132821491850E+04 -0.13542E-03 -0.19019E+00 2816 0.171E+00 0.539E-01 DAV: 2 -0.132824514795E+04 -0.30229E-01 -0.17827E-01 3488 0.307E-01 0.310E+00 DAV: 3 -0.132821810340E+04 0.27045E-01 -0.19329E-01 3616 0.134E-01 0.806E-01 DAV: 4 -0.132822264042E+04 -0.45370E-02 -0.99439E-02 3168 0.882E-02 0.105E+00 DAV: 5 -0.132821790390E+04 0.47365E-02 -0.36251E-02 3328 0.650E-02 0.179E-01 DAV: 6 -0.132821828449E+04 -0.38059E-03 -0.40927E-03 2720 0.355E-02 0.190E-01 DAV: 7 -0.132821822343E+04 0.61058E-04 -0.24488E-03 2944 0.266E-02 0.122E-01 DAV: 8 -0.132821821988E+04 0.35483E-05 -0.13563E-03 2752 0.177E-02 0.914E-02 DAV: 9 -0.132821818741E+04 0.32468E-04 -0.96775E-04 2400 0.110E-02 263 F= -.13487444E+04 E0= -.13487122E+04 d E =-.145671E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132822077710E+04 -0.25572E-02 -0.76998E+00 2816 0.346E+00 0.991E-01 DAV: 2 -0.132831657074E+04 -0.95794E-01 -0.92534E-01 3488 0.609E-01 0.452E+00 DAV: 3 -0.132823728366E+04 0.79287E-01 -0.65097E-01 3584 0.236E-01 0.109E+00 DAV: 4 -0.132824134546E+04 -0.40618E-02 -0.19287E-01 3392 0.190E-01 0.717E-01 DAV: 5 -0.132823725641E+04 0.40891E-02 -0.38767E-02 3328 0.102E-01 0.466E-01 DAV: 6 -0.132823431945E+04 0.29370E-02 -0.18118E-02 3392 0.820E-02 0.298E-01 DAV: 7 -0.132823484312E+04 -0.52367E-03 -0.10620E-02 3424 0.578E-02 0.329E-01 DAV: 8 -0.132823445314E+04 0.38999E-03 -0.12511E-02 3360 0.394E-02 0.276E-01 DAV: 9 -0.132823451029E+04 -0.57156E-04 -0.75238E-03 3104 0.397E-02 0.192E-01 DAV: 10 -0.132823417495E+04 0.33534E-03 -0.20854E-03 2912 0.248E-02 0.719E-02 DAV: 11 -0.132823416111E+04 0.13838E-04 -0.69285E-04 2496 0.115E-02 264 F= -.13487579E+04 E0= -.13487254E+04 d E =-.135241E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132823365666E+04 0.51829E-03 -0.21828E+00 2816 0.184E+00 0.525E-01 DAV: 2 -0.132825925219E+04 -0.25596E-01 -0.23194E-01 3456 0.318E-01 0.249E+00 DAV: 3 -0.132823846063E+04 0.20792E-01 -0.18892E-01 3616 0.123E-01 0.713E-01 DAV: 4 -0.132824085466E+04 -0.23940E-02 -0.52985E-02 3136 0.102E-01 0.502E-01 DAV: 5 -0.132823810971E+04 0.27449E-02 -0.18385E-02 3232 0.591E-02 0.246E-01 DAV: 6 -0.132823757230E+04 0.53742E-03 -0.84229E-03 3008 0.443E-02 0.169E-01 DAV: 7 -0.132823775591E+04 -0.18361E-03 -0.26814E-03 3328 0.308E-02 0.200E-01 DAV: 8 -0.132823754320E+04 0.21271E-03 -0.21163E-03 2752 0.264E-02 0.124E-01 DAV: 9 -0.132823750342E+04 0.39784E-04 -0.77524E-04 2560 0.153E-02 265 F= -.13487600E+04 E0= -.13487277E+04 d E =-.155737E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132823769504E+04 -0.15184E-03 -0.85665E+00 2816 0.364E+00 0.108E+00 DAV: 2 -0.132827416762E+04 -0.36473E-01 -0.33484E-01 3488 0.593E-01 0.193E+00 DAV: 3 -0.132828207199E+04 -0.79044E-02 -0.36887E-01 3936 0.227E-01 0.308E+00 DAV: 4 -0.132826426702E+04 0.17805E-01 -0.40987E-01 3616 0.167E-01 0.172E+00 DAV: 5 -0.132825661958E+04 0.76474E-02 -0.17382E-01 3552 0.126E-01 0.821E-01 DAV: 6 -0.132825334412E+04 0.32755E-02 -0.29361E-02 3488 0.753E-02 0.290E-01 DAV: 7 -0.132825498267E+04 -0.16386E-02 -0.23050E-02 3104 0.559E-02 0.546E-01 DAV: 8 -0.132825354611E+04 0.14366E-02 -0.33186E-02 3072 0.410E-02 0.195E-01 DAV: 9 -0.132825329558E+04 0.25053E-03 -0.20485E-03 2880 0.281E-02 0.951E-02 DAV: 10 -0.132825333592E+04 -0.40340E-04 -0.58112E-04 2592 0.211E-02 266 F= -.13487716E+04 E0= -.13487399E+04 d E =-.116925E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132825363833E+04 -0.34276E-03 -0.17613E-01 2944 0.521E-01 0.163E-01 DAV: 2 -0.132825454908E+04 -0.91075E-03 -0.75582E-03 3392 0.870E-02 0.356E-01 DAV: 3 -0.132825461116E+04 -0.62085E-04 -0.81255E-03 2976 0.341E-02 0.474E-01 DAV: 4 -0.132825423978E+04 0.37139E-03 -0.11048E-02 2848 0.272E-02 0.267E-01 DAV: 5 -0.132825401288E+04 0.22690E-03 -0.34367E-03 2720 0.200E-02 0.106E-01 DAV: 6 -0.132825398593E+04 0.26948E-04 -0.79682E-04 2528 0.118E-02 267 F= -.13487717E+04 E0= -.13487389E+04 d E =-.117508E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132825752492E+04 -0.35120E-02 -0.77780E+00 2816 0.351E+00 0.785E-01 DAV: 2 -0.132827564905E+04 -0.18124E-01 -0.19031E-01 3232 0.515E-01 0.858E-01 DAV: 3 -0.132829622286E+04 -0.20574E-01 -0.28235E-01 3744 0.175E-01 0.253E+00 DAV: 4 -0.132827689262E+04 0.19330E-01 -0.28272E-01 3520 0.125E-01 0.113E+00 DAV: 5 -0.132827189310E+04 0.49995E-02 -0.62790E-02 3424 0.896E-02 0.290E-01 DAV: 6 -0.132827433678E+04 -0.24437E-02 -0.27278E-02 3168 0.692E-02 0.666E-01 DAV: 7 -0.132827258883E+04 0.17480E-02 -0.44099E-02 3232 0.588E-02 0.354E-01 DAV: 8 -0.132827216442E+04 0.42441E-03 -0.54911E-03 3168 0.405E-02 0.251E-01 DAV: 9 -0.132827189354E+04 0.27088E-03 -0.23849E-03 2816 0.232E-02 0.118E-01 DAV: 10 -0.132827180953E+04 0.84003E-04 -0.64527E-04 2656 0.136E-02 268 F= -.13487855E+04 E0= -.13487535E+04 d E =-.138089E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132826860244E+04 0.32911E-02 -0.55130E+00 2816 0.296E+00 0.668E-01 DAV: 2 -0.132828480958E+04 -0.16207E-01 -0.18598E-01 3232 0.450E-01 0.830E-01 DAV: 3 -0.132829618239E+04 -0.11373E-01 -0.17757E-01 3648 0.159E-01 0.224E+00 DAV: 4 -0.132828126641E+04 0.14916E-01 -0.18920E-01 3584 0.113E-01 0.832E-01 DAV: 5 -0.132827942667E+04 0.18397E-02 -0.55998E-02 3328 0.752E-02 0.326E-01 DAV: 6 -0.132827950450E+04 -0.77830E-04 -0.20294E-02 3200 0.578E-02 0.258E-01 DAV: 7 -0.132827942202E+04 0.82477E-04 -0.20941E-02 3200 0.578E-02 0.320E-01 DAV: 8 -0.132827898994E+04 0.43208E-03 -0.35983E-03 3200 0.335E-02 0.164E-01 DAV: 9 -0.132827872444E+04 0.26550E-03 -0.86949E-04 2656 0.231E-02 0.897E-02 DAV: 10 -0.132827868872E+04 0.35718E-04 -0.60909E-04 2464 0.140E-02 269 F= -.13487890E+04 E0= -.13487562E+04 d E =-.173367E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132828433954E+04 -0.56151E-02 -0.41689E+00 2816 0.257E+00 0.708E-01 DAV: 2 -0.132833992674E+04 -0.55587E-01 -0.41728E-01 3456 0.446E-01 0.406E+00 DAV: 3 -0.132829124396E+04 0.48683E-01 -0.36312E-01 3584 0.178E-01 0.870E-01 DAV: 4 -0.132829929560E+04 -0.80516E-02 -0.12558E-01 3328 0.117E-01 0.123E+00 DAV: 5 -0.132829218323E+04 0.71124E-02 -0.60800E-02 3424 0.791E-02 0.330E-01 DAV: 6 -0.132829263240E+04 -0.44916E-03 -0.11530E-02 3104 0.573E-02 0.329E-01 DAV: 7 -0.132829235119E+04 0.28120E-03 -0.99466E-03 3104 0.456E-02 0.232E-01 DAV: 8 -0.132829199697E+04 0.35423E-03 -0.35531E-03 2912 0.294E-02 0.131E-01 DAV: 9 -0.132829200285E+04 -0.58880E-05 -0.10028E-03 2880 0.185E-02 0.663E-02 DAV: 10 -0.132829198395E+04 0.18902E-04 -0.41595E-04 2080 0.134E-02 270 F= -.13487993E+04 E0= -.13487669E+04 d E =-.102284E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132828474220E+04 0.72607E-02 -0.93364E+00 2816 0.385E+00 0.106E+00 DAV: 2 -0.132840657701E+04 -0.12183E+00 -0.11891E+00 3488 0.666E-01 0.590E+00 DAV: 3 -0.132829954394E+04 0.10703E+00 -0.10417E+00 3648 0.263E-01 0.108E+00 DAV: 4 -0.132831129287E+04 -0.11749E-01 -0.15558E-01 3264 0.152E-01 0.143E+00 DAV: 5 -0.132830248786E+04 0.88050E-02 -0.11028E-01 3392 0.100E-01 0.643E-01 DAV: 6 -0.132830308005E+04 -0.59220E-03 -0.39681E-02 3200 0.714E-02 0.541E-01 DAV: 7 -0.132830240730E+04 0.67276E-03 -0.22424E-02 3296 0.658E-02 0.325E-01 DAV: 8 -0.132830186138E+04 0.54592E-03 -0.72755E-03 3232 0.495E-02 0.241E-01 DAV: 9 -0.132830172490E+04 0.13648E-03 -0.32389E-03 2880 0.355E-02 0.118E-01 DAV: 10 -0.132830160470E+04 0.12020E-03 -0.45963E-04 2528 0.201E-02 0.629E-02 DAV: 11 -0.132830158966E+04 0.15038E-04 -0.48727E-04 2176 0.108E-02 271 F= -.13488043E+04 E0= -.13487725E+04 d E =-.152589E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132830330718E+04 -0.17025E-02 -0.63462E+00 2816 0.315E+00 0.792E-01 DAV: 2 -0.132835267703E+04 -0.49370E-01 -0.39246E-01 3392 0.516E-01 0.333E+00 DAV: 3 -0.132831746567E+04 0.35211E-01 -0.28773E-01 3712 0.180E-01 0.112E+00 DAV: 4 -0.132832349204E+04 -0.60264E-02 -0.15933E-01 3456 0.146E-01 0.109E+00 DAV: 5 -0.132831711395E+04 0.63781E-02 -0.70688E-02 3552 0.921E-02 0.551E-01 DAV: 6 -0.132831521887E+04 0.18951E-02 -0.19619E-02 3296 0.805E-02 0.318E-01 DAV: 7 -0.132831718756E+04 -0.19687E-02 -0.25533E-02 3392 0.597E-02 0.380E-01 DAV: 8 -0.132831528316E+04 0.19044E-02 -0.86145E-03 3296 0.552E-02 0.158E-01 DAV: 9 -0.132831501803E+04 0.26513E-03 -0.22520E-03 2912 0.306E-02 0.165E-01 DAV: 10 -0.132831489448E+04 0.12355E-03 -0.16669E-03 2720 0.150E-02 0.606E-02 DAV: 11 -0.132831489073E+04 0.37430E-05 -0.28107E-04 2272 0.905E-03 272 F= -.13488146E+04 E0= -.13487824E+04 d E =-.102853E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132831161550E+04 0.32790E-02 -0.49949E+00 2816 0.279E+00 0.707E-01 DAV: 2 -0.132835095735E+04 -0.39342E-01 -0.30947E-01 3424 0.459E-01 0.296E+00 DAV: 3 -0.132832296908E+04 0.27988E-01 -0.23432E-01 3776 0.163E-01 0.104E+00 DAV: 4 -0.132832771275E+04 -0.47437E-02 -0.12576E-01 3360 0.132E-01 0.968E-01 DAV: 5 -0.132832238957E+04 0.53232E-02 -0.53544E-02 3488 0.837E-02 0.470E-01 DAV: 6 -0.132832093820E+04 0.14514E-02 -0.14265E-02 3296 0.723E-02 0.276E-01 DAV: 7 -0.132832169601E+04 -0.75781E-03 -0.13436E-02 3392 0.496E-02 0.284E-01 DAV: 8 -0.132832090821E+04 0.78780E-03 -0.72211E-03 3264 0.388E-02 0.106E-01 DAV: 9 -0.132832073346E+04 0.17475E-03 -0.89998E-04 2496 0.246E-02 0.669E-02 DAV: 10 -0.132832070487E+04 0.28587E-04 -0.28843E-04 2272 0.119E-02 273 F= -.13488177E+04 E0= -.13487858E+04 d E =-.134129E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132832570381E+04 -0.49704E-02 -0.42296E+00 2816 0.258E+00 0.692E-01 DAV: 2 -0.132833853124E+04 -0.12827E-01 -0.13542E-01 3264 0.397E-01 0.100E+00 DAV: 3 -0.132835008512E+04 -0.11554E-01 -0.19038E-01 3872 0.146E-01 0.232E+00 DAV: 4 -0.132833789460E+04 0.12191E-01 -0.17897E-01 3584 0.115E-01 0.104E+00 DAV: 5 -0.132833483949E+04 0.30551E-02 -0.68908E-02 3296 0.801E-02 0.450E-01 DAV: 6 -0.132833383204E+04 0.10074E-02 -0.13073E-02 3040 0.534E-02 0.258E-01 DAV: 7 -0.132833420342E+04 -0.37138E-03 -0.81646E-03 3264 0.431E-02 0.287E-01 DAV: 8 -0.132833375523E+04 0.44819E-03 -0.10748E-02 3168 0.313E-02 0.139E-01 DAV: 9 -0.132833364007E+04 0.11516E-03 -0.13051E-03 2752 0.190E-02 0.541E-02 DAV: 10 -0.132833367317E+04 -0.33103E-04 -0.27016E-04 2112 0.150E-02 274 F= -.13488293E+04 E0= -.13487975E+04 d E =-.115578E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132833247989E+04 0.11602E-02 -0.26595E+00 2816 0.204E+00 0.546E-01 DAV: 2 -0.132834026188E+04 -0.77820E-02 -0.79271E-02 3264 0.314E-01 0.796E-01 DAV: 3 -0.132835015295E+04 -0.98911E-02 -0.13613E-01 3904 0.119E-01 0.202E+00 DAV: 4 -0.132833887122E+04 0.11282E-01 -0.12044E-01 3328 0.930E-02 0.659E-01 DAV: 5 -0.132833772132E+04 0.11499E-02 -0.28796E-02 3296 0.580E-02 0.263E-01 DAV: 6 -0.132833786491E+04 -0.14359E-03 -0.83242E-03 2944 0.364E-02 0.277E-01 DAV: 7 -0.132833773206E+04 0.13285E-03 -0.36588E-03 3008 0.363E-02 0.140E-01 DAV: 8 -0.132833763077E+04 0.10129E-03 -0.85457E-04 2880 0.301E-02 0.952E-02 DAV: 9 -0.132833755328E+04 0.77490E-04 -0.33012E-04 2272 0.184E-02 275 F= -.13488320E+04 E0= -.13488001E+04 d E =-.143065E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132834291088E+04 -0.52801E-02 -0.39174E+00 2816 0.249E+00 0.520E-01 DAV: 2 -0.132835758327E+04 -0.14672E-01 -0.14349E-01 3168 0.374E-01 0.146E+00 DAV: 3 -0.132835557558E+04 0.20077E-02 -0.15166E-01 3840 0.118E-01 0.133E+00 DAV: 4 -0.132835256444E+04 0.30111E-02 -0.72748E-02 3360 0.799E-02 0.687E-01 DAV: 5 -0.132835063110E+04 0.19333E-02 -0.42566E-02 3136 0.518E-02 0.303E-01 DAV: 6 -0.132835045708E+04 0.17402E-03 -0.10006E-02 2752 0.426E-02 0.311E-01 DAV: 7 -0.132835033466E+04 0.12242E-03 -0.47184E-03 3328 0.447E-02 0.244E-01 DAV: 8 -0.132835009316E+04 0.24150E-03 -0.24186E-03 3072 0.299E-02 0.134E-01 DAV: 9 -0.132835003615E+04 0.57013E-04 -0.86314E-04 2752 0.166E-02 276 F= -.13488431E+04 E0= -.13488110E+04 d E =-.110944E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132833602745E+04 0.14066E-01 -0.14195E+01 2816 0.475E+00 0.991E-01 DAV: 2 -0.132839103378E+04 -0.55006E-01 -0.55703E-01 3200 0.714E-01 0.286E+00 DAV: 3 -0.132837824987E+04 0.12784E-01 -0.56290E-01 3776 0.221E-01 0.223E+00 DAV: 4 -0.132836582202E+04 0.12428E-01 -0.19613E-01 3424 0.145E-01 0.913E-01 DAV: 5 -0.132836301575E+04 0.28063E-02 -0.59600E-02 3424 0.967E-02 0.398E-01 DAV: 6 -0.132836571094E+04 -0.26952E-02 -0.46839E-02 3136 0.940E-02 0.796E-01 DAV: 7 -0.132836322675E+04 0.24842E-02 -0.73112E-02 3360 0.951E-02 0.394E-01 DAV: 8 -0.132836262936E+04 0.59739E-03 -0.74415E-03 3392 0.519E-02 0.362E-01 DAV: 9 -0.132836192206E+04 0.70730E-03 -0.33712E-03 2912 0.383E-02 0.153E-01 DAV: 10 -0.132836187161E+04 0.50452E-04 -0.18369E-03 2688 0.212E-02 0.698E-02 DAV: 11 -0.132836180890E+04 0.62704E-04 -0.47522E-04 2464 0.169E-02 277 F= -.13488522E+04 E0= -.13488199E+04 d E =-.201452E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132836727562E+04 -0.54040E-02 -0.44381E+00 2816 0.266E+00 0.645E-01 DAV: 2 -0.132839991993E+04 -0.32644E-01 -0.28058E-01 3296 0.438E-01 0.268E+00 DAV: 3 -0.132838150512E+04 0.18415E-01 -0.22989E-01 3840 0.158E-01 0.132E+00 DAV: 4 -0.132837851210E+04 0.29930E-02 -0.11813E-01 3264 0.127E-01 0.836E-01 DAV: 5 -0.132837600017E+04 0.25119E-02 -0.40521E-02 3680 0.795E-02 0.402E-01 DAV: 6 -0.132837687791E+04 -0.87773E-03 -0.29663E-02 3360 0.753E-02 0.356E-01 DAV: 7 -0.132837693721E+04 -0.59302E-04 -0.15498E-02 3168 0.457E-02 0.443E-01 DAV: 8 -0.132837539827E+04 0.15389E-02 -0.24615E-02 3104 0.338E-02 0.143E-01 DAV: 9 -0.132837537919E+04 0.19076E-04 -0.14186E-03 2848 0.238E-02 0.122E-01 DAV: 10 -0.132837526614E+04 0.11305E-03 -0.58621E-04 2560 0.155E-02 0.503E-02 DAV: 11 -0.132837525866E+04 0.74801E-05 -0.13279E-04 2144 0.778E-03 278 F= -.13488638E+04 E0= -.13488319E+04 d E =-.116840E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132837059899E+04 0.46671E-02 -0.68007E+00 2816 0.330E+00 0.800E-01 DAV: 2 -0.132842333630E+04 -0.52737E-01 -0.44970E-01 3328 0.542E-01 0.351E+00 DAV: 3 -0.132839026519E+04 0.33071E-01 -0.35194E-01 3872 0.196E-01 0.147E+00 DAV: 4 -0.132838829670E+04 0.19685E-02 -0.17164E-01 3392 0.155E-01 0.112E+00 DAV: 5 -0.132838421156E+04 0.40851E-02 -0.70524E-02 3744 0.995E-02 0.559E-01 DAV: 6 -0.132838508096E+04 -0.86940E-03 -0.59080E-02 3424 0.945E-02 0.401E-01 DAV: 7 -0.132838556204E+04 -0.48108E-03 -0.21644E-02 3328 0.534E-02 0.533E-01 DAV: 8 -0.132838319124E+04 0.23708E-02 -0.38678E-02 3136 0.424E-02 0.214E-01 DAV: 9 -0.132838283561E+04 0.35563E-03 -0.21218E-03 2944 0.297E-02 0.143E-01 DAV: 10 -0.132838274296E+04 0.92649E-04 -0.90872E-04 2880 0.165E-02 279 F= -.13488690E+04 E0= -.13488375E+04 d E =-.168813E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132838762586E+04 -0.47903E-02 -0.43088E+00 2816 0.260E+00 0.584E-01 DAV: 2 -0.132839972444E+04 -0.12099E-01 -0.14101E-01 3136 0.395E-01 0.518E-01 DAV: 3 -0.132840255020E+04 -0.28258E-02 -0.99823E-02 3520 0.147E-01 0.125E+00 DAV: 4 -0.132839957380E+04 0.29764E-02 -0.11674E-01 3488 0.906E-02 0.106E+00 DAV: 5 -0.132839566402E+04 0.39098E-02 -0.42069E-02 3232 0.648E-02 0.231E-01 DAV: 6 -0.132839628703E+04 -0.62301E-03 -0.72053E-03 3360 0.454E-02 0.323E-01 DAV: 7 -0.132839588231E+04 0.40473E-03 -0.10010E-02 3360 0.402E-02 0.141E-01 DAV: 8 -0.132839572260E+04 0.15971E-03 -0.25979E-03 2944 0.269E-02 0.102E-01 DAV: 9 -0.132839571654E+04 0.60615E-05 -0.12982E-03 2752 0.153E-02 0.684E-02 DAV: 10 -0.132839567286E+04 0.43674E-04 -0.39537E-04 2240 0.104E-02 280 F= -.13488807E+04 E0= -.13488489E+04 d E =-.116813E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132838737232E+04 0.83442E-02 -0.88968E+00 2816 0.374E+00 0.835E-01 DAV: 2 -0.132841167187E+04 -0.24300E-01 -0.28663E-01 3136 0.566E-01 0.777E-01 DAV: 3 -0.132842475530E+04 -0.13083E-01 -0.22684E-01 3616 0.206E-01 0.233E+00 DAV: 4 -0.132840849764E+04 0.16258E-01 -0.24834E-01 3648 0.126E-01 0.110E+00 DAV: 5 -0.132840407237E+04 0.44253E-02 -0.54748E-02 3328 0.870E-02 0.316E-01 DAV: 6 -0.132840528679E+04 -0.12144E-02 -0.15888E-02 3520 0.665E-02 0.353E-01 DAV: 7 -0.132840506053E+04 0.22625E-03 -0.16366E-02 3424 0.757E-02 0.334E-01 DAV: 8 -0.132840465878E+04 0.40175E-03 -0.51086E-03 3232 0.502E-02 0.248E-01 DAV: 9 -0.132840398248E+04 0.67629E-03 -0.34841E-03 2752 0.266E-02 0.659E-02 DAV: 10 -0.132840399030E+04 -0.78112E-05 -0.40503E-04 2592 0.145E-02 281 F= -.13488871E+04 E0= -.13488553E+04 d E =-.180752E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132840875647E+04 -0.47740E-02 -0.48022E+00 2816 0.274E+00 0.631E-01 DAV: 2 -0.132841894547E+04 -0.10189E-01 -0.11183E-01 3200 0.401E-01 0.410E-01 DAV: 3 -0.132842381582E+04 -0.48704E-02 -0.58525E-02 3648 0.109E-01 0.116E+00 DAV: 4 -0.132842156236E+04 0.22535E-02 -0.56025E-02 3520 0.733E-02 0.976E-01 DAV: 5 -0.132841821184E+04 0.33505E-02 -0.42420E-02 3072 0.584E-02 0.360E-01 DAV: 6 -0.132841890137E+04 -0.68952E-03 -0.17663E-02 3456 0.452E-02 0.438E-01 DAV: 7 -0.132841835141E+04 0.54996E-03 -0.18024E-02 3328 0.476E-02 0.248E-01 DAV: 8 -0.132841816816E+04 0.18325E-03 -0.20113E-03 3200 0.398E-02 0.143E-01 DAV: 9 -0.132841792764E+04 0.24052E-03 -0.56611E-04 2560 0.245E-02 0.865E-02 DAV: 10 -0.132841786079E+04 0.66847E-04 -0.40098E-04 2304 0.127E-02 282 F= -.13488998E+04 E0= -.13488676E+04 d E =-.126663E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132839800197E+04 0.19926E-01 -0.16670E+01 2816 0.511E+00 0.118E+00 DAV: 2 -0.132843421851E+04 -0.36217E-01 -0.39112E-01 3264 0.749E-01 0.896E-01 DAV: 3 -0.132846589789E+04 -0.31679E-01 -0.34963E-01 3648 0.229E-01 0.311E+00 DAV: 4 -0.132844290369E+04 0.22994E-01 -0.25314E-01 3648 0.155E-01 0.165E+00 DAV: 5 -0.132843186050E+04 0.11043E-01 -0.12963E-01 3360 0.126E-01 0.715E-01 DAV: 6 -0.132843073926E+04 0.11212E-02 -0.51951E-02 3456 0.801E-02 0.584E-01 DAV: 7 -0.132843205237E+04 -0.13131E-02 -0.42261E-02 3360 0.990E-02 0.423E-01 DAV: 8 -0.132842943700E+04 0.26154E-02 -0.15881E-02 3328 0.769E-02 0.176E-01 DAV: 9 -0.132842945979E+04 -0.22793E-04 -0.32437E-03 2976 0.325E-02 0.102E-01 DAV: 10 -0.132842939672E+04 0.63065E-04 -0.84743E-04 2688 0.227E-02 283 F= -.13489089E+04 E0= -.13488757E+04 d E =-.218145E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132843086757E+04 -0.14078E-02 -0.74702E+00 2816 0.341E+00 0.761E-01 DAV: 2 -0.132845562052E+04 -0.24753E-01 -0.25737E-01 3232 0.519E-01 0.176E+00 DAV: 3 -0.132846194465E+04 -0.63241E-02 -0.35363E-01 3840 0.168E-01 0.227E+00 DAV: 4 -0.132844938927E+04 0.12555E-01 -0.23344E-01 3360 0.128E-01 0.103E+00 DAV: 5 -0.132844529271E+04 0.40966E-02 -0.50478E-02 3552 0.810E-02 0.262E-01 DAV: 6 -0.132844784917E+04 -0.25565E-02 -0.26140E-02 3040 0.646E-02 0.522E-01 DAV: 7 -0.132844583617E+04 0.20130E-02 -0.62762E-03 3424 0.607E-02 0.213E-01 DAV: 8 -0.132844543232E+04 0.40386E-03 -0.44225E-03 3200 0.362E-02 0.129E-01 DAV: 9 -0.132844534476E+04 0.87559E-04 -0.56749E-04 2720 0.252E-02 284 F= -.13489224E+04 E0= -.13488892E+04 d E =-.134587E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132842649024E+04 0.18942E-01 -0.15202E+01 2816 0.487E+00 0.110E+00 DAV: 2 -0.132847505419E+04 -0.48564E-01 -0.53874E-01 3264 0.745E-01 0.233E+00 DAV: 3 -0.132849181587E+04 -0.16762E-01 -0.74746E-01 3872 0.243E-01 0.327E+00 DAV: 4 -0.132846722861E+04 0.24587E-01 -0.54631E-01 3488 0.183E-01 0.180E+00 DAV: 5 -0.132845553520E+04 0.11693E-01 -0.13589E-01 3648 0.126E-01 0.379E-01 DAV: 6 -0.132846073042E+04 -0.51952E-02 -0.62666E-02 3328 0.104E-01 0.576E-01 DAV: 7 -0.132845590533E+04 0.48251E-02 -0.10984E-02 3392 0.771E-02 0.254E-01 DAV: 8 -0.132845599247E+04 -0.87142E-04 -0.77412E-03 3520 0.476E-02 0.377E-01 DAV: 9 -0.132845544198E+04 0.55049E-03 -0.34119E-03 3136 0.333E-02 0.140E-01 DAV: 10 -0.132845547355E+04 -0.31570E-04 -0.10257E-03 2944 0.222E-02 0.729E-02 DAV: 11 -0.132845547775E+04 -0.41971E-05 -0.42759E-04 2304 0.158E-02 285 F= -.13489288E+04 E0= -.13488957E+04 d E =-.199002E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132845157850E+04 0.38951E-02 -0.10464E+01 2816 0.403E+00 0.883E-01 DAV: 2 -0.132847718360E+04 -0.25605E-01 -0.25560E-01 3296 0.602E-01 0.109E+00 DAV: 3 -0.132849091057E+04 -0.13727E-01 -0.23336E-01 3712 0.193E-01 0.202E+00 DAV: 4 -0.132848407095E+04 0.68396E-02 -0.33421E-01 3520 0.142E-01 0.181E+00 DAV: 5 -0.132847120412E+04 0.12867E-01 -0.12503E-01 3520 0.105E-01 0.331E-01 DAV: 6 -0.132847279018E+04 -0.15861E-02 -0.13228E-02 3104 0.740E-02 0.382E-01 DAV: 7 -0.132847303986E+04 -0.24968E-03 -0.12558E-02 3488 0.648E-02 0.448E-01 DAV: 8 -0.132847223850E+04 0.80136E-03 -0.77575E-03 2816 0.535E-02 0.212E-01 DAV: 9 -0.132847180420E+04 0.43430E-03 -0.14542E-03 2656 0.291E-02 0.118E-01 DAV: 10 -0.132847176677E+04 0.37432E-04 -0.84055E-04 2624 0.152E-02 286 F= -.13489428E+04 E0= -.13489098E+04 d E =-.139247E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132845912011E+04 0.12684E-01 -0.10031E+01 2816 0.395E+00 0.868E-01 DAV: 2 -0.132848376090E+04 -0.24641E-01 -0.24558E-01 3264 0.590E-01 0.104E+00 DAV: 3 -0.132849348168E+04 -0.97208E-02 -0.18644E-01 3744 0.189E-01 0.172E+00 DAV: 4 -0.132849223520E+04 0.12465E-02 -0.30603E-01 3520 0.142E-01 0.194E+00 DAV: 5 -0.132847790228E+04 0.14333E-01 -0.14212E-01 3552 0.103E-01 0.339E-01 DAV: 6 -0.132847916887E+04 -0.12666E-02 -0.12732E-02 3072 0.725E-02 0.320E-01 DAV: 7 -0.132847926055E+04 -0.91679E-04 -0.10458E-02 3552 0.602E-02 0.276E-01 DAV: 8 -0.132847860968E+04 0.65087E-03 -0.38032E-03 3040 0.437E-02 0.157E-01 DAV: 9 -0.132847873491E+04 -0.12524E-03 -0.11518E-03 2752 0.257E-02 0.149E-01 DAV: 10 -0.132847849535E+04 0.23957E-03 -0.78411E-04 2528 0.167E-02 0.386E-02 DAV: 11 -0.132847850137E+04 -0.60271E-05 -0.12462E-04 2080 0.863E-03 287 F= -.13489471E+04 E0= -.13489138E+04 d E =-.182621E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132847166567E+04 0.68297E-02 -0.14530E+01 2816 0.474E+00 0.988E-01 DAV: 2 -0.132850956661E+04 -0.37901E-01 -0.42580E-01 3200 0.707E-01 0.128E+00 DAV: 3 -0.132853260443E+04 -0.23038E-01 -0.52931E-01 3808 0.244E-01 0.302E+00 DAV: 4 -0.132851062644E+04 0.21978E-01 -0.44977E-01 3712 0.174E-01 0.132E+00 DAV: 5 -0.132850364025E+04 0.69862E-02 -0.28423E-01 3520 0.157E-01 0.579E-01 DAV: 6 -0.132849981530E+04 0.38249E-02 -0.19858E-02 3136 0.945E-02 0.481E-01 DAV: 7 -0.132850017070E+04 -0.35540E-03 -0.21557E-02 3360 0.908E-02 0.456E-01 DAV: 8 -0.132849915589E+04 0.10148E-02 -0.15467E-02 3456 0.538E-02 0.241E-01 DAV: 9 -0.132849907031E+04 0.85583E-04 -0.32577E-03 2912 0.279E-02 0.121E-01 DAV: 10 -0.132849907637E+04 -0.60558E-05 -0.12941E-03 2496 0.161E-02 0.789E-02 DAV: 11 -0.132849899399E+04 0.82375E-04 -0.42583E-04 2272 0.138E-02 288 F= -.13489656E+04 E0= -.13489323E+04 d E =-.184701E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132848011682E+04 0.18960E-01 -0.14160E+01 2816 0.469E+00 0.972E-01 DAV: 2 -0.132851580973E+04 -0.35693E-01 -0.39217E-01 3200 0.695E-01 0.133E+00 DAV: 3 -0.132854096306E+04 -0.25153E-01 -0.54871E-01 3808 0.235E-01 0.303E+00 DAV: 4 -0.132851772825E+04 0.23235E-01 -0.40991E-01 3776 0.169E-01 0.126E+00 DAV: 5 -0.132851096933E+04 0.67589E-02 -0.24264E-01 3616 0.151E-01 0.563E-01 DAV: 6 -0.132850754971E+04 0.34196E-02 -0.23101E-02 3104 0.994E-02 0.465E-01 DAV: 7 -0.132850838703E+04 -0.83732E-03 -0.23611E-02 3360 0.892E-02 0.478E-01 DAV: 8 -0.132850721975E+04 0.11673E-02 -0.14508E-02 3488 0.525E-02 0.256E-01 DAV: 9 -0.132850695268E+04 0.26708E-03 -0.33158E-03 2912 0.279E-02 0.104E-01 DAV: 10 -0.132850694567E+04 0.70120E-05 -0.10616E-03 2624 0.193E-02 0.690E-02 DAV: 11 -0.132850688436E+04 0.61308E-04 -0.50295E-04 2240 0.133E-02 289 F= -.13489713E+04 E0= -.13489378E+04 d E =-.242533E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132848923493E+04 0.17711E-01 -0.19016E+01 2816 0.540E+00 0.130E+00 DAV: 2 -0.132854597397E+04 -0.56739E-01 -0.63296E-01 3264 0.819E-01 0.214E+00 DAV: 3 -0.132857672590E+04 -0.30752E-01 -0.91600E-01 3776 0.286E-01 0.377E+00 DAV: 4 -0.132854456860E+04 0.32157E-01 -0.76776E-01 3520 0.213E-01 0.215E+00 DAV: 5 -0.132852632005E+04 0.18249E-01 -0.18339E-01 3456 0.148E-01 0.501E-01 DAV: 6 -0.132852929838E+04 -0.29783E-02 -0.27120E-02 3488 0.102E-01 0.905E-01 DAV: 7 -0.132852639596E+04 0.29024E-02 -0.17377E-02 3520 0.876E-02 0.346E-01 DAV: 8 -0.132852688419E+04 -0.48823E-03 -0.11980E-02 3488 0.633E-02 0.248E-01 DAV: 9 -0.132852728171E+04 -0.39752E-03 -0.42345E-03 2848 0.577E-02 0.291E-01 DAV: 10 -0.132852608922E+04 0.11925E-02 -0.36327E-03 2688 0.329E-02 0.105E-01 DAV: 11 -0.132852599504E+04 0.94181E-04 -0.13292E-03 2624 0.167E-02 0.622E-02 DAV: 12 -0.132852596980E+04 0.25243E-04 -0.20944E-04 2112 0.102E-02 290 F= -.13489883E+04 E0= -.13489549E+04 d E =-.169864E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132852514057E+04 0.85447E-03 -0.10264E+00 2816 0.125E+00 0.302E-01 DAV: 2 -0.132852859528E+04 -0.34547E-02 -0.31351E-02 3232 0.191E-01 0.507E-01 DAV: 3 -0.132853065401E+04 -0.20587E-02 -0.54292E-02 3712 0.768E-02 0.102E+00 DAV: 4 -0.132852815101E+04 0.25030E-02 -0.42863E-02 3072 0.544E-02 0.471E-01 DAV: 5 -0.132852752046E+04 0.63055E-03 -0.61151E-03 3072 0.463E-02 0.199E-01 DAV: 6 -0.132852720325E+04 0.31722E-03 -0.15681E-03 2560 0.279E-02 0.115E-01 DAV: 7 -0.132852719418E+04 0.90616E-05 -0.88956E-04 2912 0.226E-02 291 F= -.13489891E+04 E0= -.13489557E+04 d E =-.177023E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132852717433E+04 0.28914E-04 -0.88967E+00 2816 0.369E+00 0.835E-01 DAV: 2 -0.132857359801E+04 -0.46424E-01 -0.34369E-01 3264 0.573E-01 0.319E+00 DAV: 3 -0.132855021161E+04 0.23386E-01 -0.33483E-01 3872 0.189E-01 0.153E+00 DAV: 4 -0.132855554080E+04 -0.53292E-02 -0.25510E-01 3360 0.143E-01 0.161E+00 DAV: 5 -0.132854324193E+04 0.12299E-01 -0.81261E-02 3552 0.103E-01 0.258E-01 DAV: 6 -0.132854533695E+04 -0.20950E-02 -0.14212E-02 3200 0.780E-02 0.406E-01 DAV: 7 -0.132854554130E+04 -0.20434E-03 -0.16232E-02 3424 0.715E-02 0.319E-01 DAV: 8 -0.132854403062E+04 0.15107E-02 -0.37939E-03 2784 0.473E-02 0.117E-01 DAV: 9 -0.132854403617E+04 -0.55522E-05 -0.18426E-03 2912 0.213E-02 0.803E-02 DAV: 10 -0.132854397875E+04 0.57422E-04 -0.54001E-04 2432 0.120E-02 292 F= -.13490035E+04 E0= -.13489707E+04 d E =-.144532E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132853590007E+04 0.81361E-02 -0.78399E+00 2816 0.346E+00 0.795E-01 DAV: 2 -0.132858093695E+04 -0.45037E-01 -0.31547E-01 3232 0.544E-01 0.322E+00 DAV: 3 -0.132855583283E+04 0.25104E-01 -0.27846E-01 3904 0.186E-01 0.147E+00 DAV: 4 -0.132856006634E+04 -0.42335E-02 -0.22072E-01 3328 0.138E-01 0.147E+00 DAV: 5 -0.132855011032E+04 0.99560E-02 -0.71781E-02 3520 0.981E-02 0.249E-01 DAV: 6 -0.132855341929E+04 -0.33090E-02 -0.21581E-02 3136 0.799E-02 0.417E-01 DAV: 7 -0.132855086612E+04 0.25532E-02 -0.10318E-02 3328 0.699E-02 0.190E-01 DAV: 8 -0.132855099337E+04 -0.12725E-03 -0.55073E-03 3168 0.317E-02 0.166E-01 DAV: 9 -0.132855074738E+04 0.24599E-03 -0.16924E-03 2688 0.204E-02 0.101E-01 DAV: 10 -0.132855071627E+04 0.31108E-04 -0.66623E-04 2336 0.126E-02 293 F= -.13490080E+04 E0= -.13489757E+04 d E =-.189361E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132855464225E+04 -0.38949E-02 -0.53696E+00 2816 0.288E+00 0.647E-01 DAV: 2 -0.132857287812E+04 -0.18236E-01 -0.14394E-01 3232 0.441E-01 0.156E+00 DAV: 3 -0.132857470859E+04 -0.18305E-02 -0.14965E-01 4000 0.145E-01 0.172E+00 DAV: 4 -0.132857082027E+04 0.38883E-02 -0.20502E-01 3392 0.108E-01 0.125E+00 DAV: 5 -0.132856479824E+04 0.60220E-02 -0.54660E-02 3520 0.830E-02 0.281E-01 DAV: 6 -0.132856685097E+04 -0.20527E-02 -0.11679E-02 3040 0.673E-02 0.363E-01 DAV: 7 -0.132856514274E+04 0.17082E-02 -0.49830E-03 3136 0.542E-02 0.201E-01 DAV: 8 -0.132856500422E+04 0.13852E-03 -0.52334E-03 3264 0.315E-02 0.140E-01 DAV: 9 -0.132856482114E+04 0.18308E-03 -0.72448E-04 2656 0.175E-02 0.448E-02 DAV: 10 -0.132856482421E+04 -0.30645E-05 -0.15429E-04 2080 0.858E-03 294 F= -.13490199E+04 E0= -.13489877E+04 d E =-.119040E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132854135845E+04 0.23463E-01 -0.19179E+01 2816 0.543E+00 0.121E+00 DAV: 2 -0.132860115604E+04 -0.59798E-01 -0.49271E-01 3232 0.826E-01 0.274E+00 DAV: 3 -0.132860643311E+04 -0.52771E-02 -0.37102E-01 4000 0.263E-01 0.272E+00 DAV: 4 -0.132860454621E+04 0.18869E-02 -0.70660E-01 3392 0.194E-01 0.260E+00 DAV: 5 -0.132857959336E+04 0.24953E-01 -0.25604E-01 3616 0.163E-01 0.720E-01 DAV: 6 -0.132858173738E+04 -0.21440E-02 -0.13255E-01 3136 0.118E-01 0.507E-01 DAV: 7 -0.132857990530E+04 0.18321E-02 -0.98627E-03 3200 0.863E-02 0.430E-01 DAV: 8 -0.132857947632E+04 0.42898E-03 -0.12140E-02 3584 0.565E-02 0.370E-01 DAV: 9 -0.132857770235E+04 0.17740E-02 -0.29445E-03 3072 0.463E-02 0.132E-01 DAV: 10 -0.132857757591E+04 0.12645E-03 -0.12282E-03 2912 0.198E-02 0.578E-02 DAV: 11 -0.132857760682E+04 -0.30915E-04 -0.39616E-04 2176 0.140E-02 295 F= -.13490284E+04 E0= -.13489966E+04 d E =-.204209E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132857815820E+04 -0.58229E-03 -0.61954E+00 2816 0.308E+00 0.692E-01 DAV: 2 -0.132859380160E+04 -0.15643E-01 -0.16361E-01 3200 0.459E-01 0.895E-01 DAV: 3 -0.132861267450E+04 -0.18873E-01 -0.28545E-01 3840 0.164E-01 0.252E+00 DAV: 4 -0.132859532166E+04 0.17353E-01 -0.20812E-01 3680 0.123E-01 0.879E-01 DAV: 5 -0.132859259062E+04 0.27310E-02 -0.12856E-01 3392 0.103E-01 0.448E-01 DAV: 6 -0.132859068686E+04 0.19038E-02 -0.13836E-02 3072 0.625E-02 0.333E-01 DAV: 7 -0.132859088086E+04 -0.19401E-03 -0.97458E-03 3488 0.593E-02 0.326E-01 DAV: 8 -0.132859037594E+04 0.50492E-03 -0.54089E-03 3296 0.389E-02 0.137E-01 DAV: 9 -0.132859035912E+04 0.16819E-04 -0.16589E-03 2688 0.174E-02 0.704E-02 DAV: 10 -0.132859030803E+04 0.51090E-04 -0.56234E-04 2144 0.132E-02 296 F= -.13490386E+04 E0= -.13490073E+04 d E =-.102381E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132858496254E+04 0.53966E-02 -0.59769E+00 2816 0.302E+00 0.681E-01 DAV: 2 -0.132860081926E+04 -0.15857E-01 -0.16041E-01 3200 0.452E-01 0.964E-01 DAV: 3 -0.132861681844E+04 -0.15999E-01 -0.26756E-01 3808 0.161E-01 0.241E+00 DAV: 4 -0.132860378363E+04 0.13035E-01 -0.21554E-01 3616 0.125E-01 0.101E+00 DAV: 5 -0.132859885488E+04 0.49288E-02 -0.14912E-01 3200 0.105E-01 0.489E-01 DAV: 6 -0.132859702816E+04 0.18267E-02 -0.13918E-02 3264 0.585E-02 0.310E-01 DAV: 7 -0.132859724415E+04 -0.21599E-03 -0.87967E-03 3424 0.599E-02 0.338E-01 DAV: 8 -0.132859668884E+04 0.55531E-03 -0.56121E-03 3328 0.396E-02 0.129E-01 DAV: 9 -0.132859669209E+04 -0.32470E-05 -0.15788E-03 2560 0.177E-02 0.667E-02 DAV: 10 -0.132859664795E+04 0.44141E-04 -0.60532E-04 2144 0.124E-02 297 F= -.13490425E+04 E0= -.13490114E+04 d E =-.141245E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132860103596E+04 -0.43439E-02 -0.60846E+00 2816 0.307E+00 0.710E-01 DAV: 2 -0.132861807562E+04 -0.17040E-01 -0.17138E-01 3200 0.469E-01 0.712E-01 DAV: 3 -0.132863410003E+04 -0.16024E-01 -0.29131E-01 3744 0.187E-01 0.215E+00 DAV: 4 -0.132861658455E+04 0.17515E-01 -0.29973E-01 3392 0.139E-01 0.104E+00 DAV: 5 -0.132861426217E+04 0.23224E-02 -0.41939E-02 3360 0.777E-02 0.405E-01 DAV: 6 -0.132861392754E+04 0.33463E-03 -0.62028E-03 3040 0.631E-02 0.427E-01 DAV: 7 -0.132861326539E+04 0.66215E-03 -0.86133E-03 3360 0.528E-02 0.208E-01 DAV: 8 -0.132861335929E+04 -0.93905E-04 -0.41011E-03 3296 0.357E-02 0.193E-01 DAV: 9 -0.132861308832E+04 0.27097E-03 -0.10074E-03 2816 0.255E-02 0.765E-02 DAV: 10 -0.132861304170E+04 0.46618E-04 -0.71638E-04 2144 0.134E-02 298 F= -.13490554E+04 E0= -.13490242E+04 d E =-.128382E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132860599086E+04 0.70975E-02 -0.80242E+00 2816 0.352E+00 0.816E-01 DAV: 2 -0.132862736617E+04 -0.21375E-01 -0.21678E-01 3200 0.535E-01 0.848E-01 DAV: 3 -0.132865231515E+04 -0.24949E-01 -0.43191E-01 3744 0.210E-01 0.264E+00 DAV: 4 -0.132862543901E+04 0.26876E-01 -0.37088E-01 3360 0.155E-01 0.106E+00 DAV: 5 -0.132862275659E+04 0.26824E-02 -0.50028E-02 3424 0.871E-02 0.400E-01 DAV: 6 -0.132862434618E+04 -0.15896E-02 -0.13494E-02 3104 0.757E-02 0.645E-01 DAV: 7 -0.132862265223E+04 0.16939E-02 -0.25029E-02 3168 0.708E-02 0.345E-01 DAV: 8 -0.132862198785E+04 0.66438E-03 -0.49088E-03 3136 0.491E-02 0.158E-01 DAV: 9 -0.132862197878E+04 0.90725E-05 -0.17966E-03 2912 0.295E-02 0.954E-02 DAV: 10 -0.132862184901E+04 0.12977E-03 -0.12105E-03 2144 0.154E-02 0.391E-02 DAV: 11 -0.132862184229E+04 0.67222E-05 -0.23913E-04 2144 0.999E-03 299 F= -.13490600E+04 E0= -.13490288E+04 d E =-.175127E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132862499729E+04 -0.31483E-02 -0.50289E+00 2816 0.279E+00 0.638E-01 DAV: 2 -0.132864220377E+04 -0.17206E-01 -0.13913E-01 3296 0.432E-01 0.153E+00 DAV: 3 -0.132864463486E+04 -0.24311E-02 -0.16931E-01 3904 0.140E-01 0.171E+00 DAV: 4 -0.132864055620E+04 0.40787E-02 -0.19765E-01 3328 0.111E-01 0.119E+00 DAV: 5 -0.132863458925E+04 0.59670E-02 -0.46982E-02 3520 0.821E-02 0.249E-01 DAV: 6 -0.132863696078E+04 -0.23715E-02 -0.74126E-03 2912 0.654E-02 0.357E-01 DAV: 7 -0.132863495071E+04 0.20101E-02 -0.32435E-03 3040 0.579E-02 0.146E-01 DAV: 8 -0.132863505465E+04 -0.10393E-03 -0.16757E-03 3296 0.363E-02 0.120E-01 DAV: 9 -0.132863487144E+04 0.18321E-03 -0.53059E-04 2656 0.195E-02 0.633E-02 DAV: 10 -0.132863486254E+04 0.88985E-05 -0.35889E-04 2176 0.919E-03 300 F= -.13490700E+04 E0= -.13490385E+04 d E =-.995965E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132861630232E+04 0.18569E-01 -0.15720E+01 2816 0.494E+00 0.113E+00 DAV: 2 -0.132867121977E+04 -0.54917E-01 -0.43628E-01 3328 0.764E-01 0.290E+00 DAV: 3 -0.132867180765E+04 -0.58788E-03 -0.49587E-01 3968 0.241E-01 0.260E+00 DAV: 4 -0.132866793582E+04 0.38718E-02 -0.58326E-01 3520 0.191E-01 0.223E+00 DAV: 5 -0.132864704360E+04 0.20892E-01 -0.16962E-01 3552 0.146E-01 0.514E-01 DAV: 6 -0.132865237150E+04 -0.53279E-02 -0.79236E-02 3136 0.114E-01 0.538E-01 DAV: 7 -0.132864725996E+04 0.51115E-02 -0.85906E-03 3040 0.865E-02 0.256E-01 DAV: 8 -0.132864717565E+04 0.84309E-04 -0.36283E-03 3552 0.513E-02 0.146E-01 DAV: 9 -0.132864716072E+04 0.14930E-04 -0.20289E-03 2816 0.278E-02 0.137E-01 DAV: 10 -0.132864702445E+04 0.13627E-03 -0.52381E-04 2528 0.158E-02 0.516E-02 DAV: 11 -0.132864701905E+04 0.53964E-05 -0.35293E-04 2208 0.848E-03 301 F= -.13490767E+04 E0= -.13490457E+04 d E =-.166946E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132864925014E+04 -0.22257E-02 -0.57569E+00 2816 0.299E+00 0.670E-01 DAV: 2 -0.132867800859E+04 -0.28758E-01 -0.18366E-01 3264 0.471E-01 0.180E+00 DAV: 3 -0.132866656546E+04 0.11443E-01 -0.35371E-01 3552 0.192E-01 0.603E-01 DAV: 4 -0.132866635333E+04 0.21213E-03 -0.50718E-02 3360 0.102E-01 0.962E-01 DAV: 5 -0.132866282830E+04 0.35250E-02 -0.62481E-02 3296 0.721E-02 0.752E-01 DAV: 6 -0.132866160602E+04 0.12223E-02 -0.18582E-02 3136 0.540E-02 0.345E-01 DAV: 7 -0.132866211417E+04 -0.50814E-03 -0.31535E-02 3232 0.737E-02 0.466E-01 DAV: 8 -0.132866046452E+04 0.16496E-02 -0.10325E-02 3200 0.431E-02 0.191E-01 DAV: 9 -0.132866074634E+04 -0.28182E-03 -0.33796E-03 2720 0.261E-02 0.208E-01 DAV: 10 -0.132866029851E+04 0.44783E-03 -0.11660E-03 2464 0.170E-02 0.703E-02 DAV: 11 -0.132866024479E+04 0.53717E-04 -0.15032E-04 2144 0.928E-03 302 F= -.13490871E+04 E0= -.13490559E+04 d E =-.103984E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132865627403E+04 0.40245E-02 -0.52743E+00 2816 0.286E+00 0.639E-01 DAV: 2 -0.132867719968E+04 -0.20926E-01 -0.15155E-01 3296 0.446E-01 0.142E+00 DAV: 3 -0.132867325799E+04 0.39417E-02 -0.20089E-01 3744 0.175E-01 0.770E-01 DAV: 4 -0.132867885149E+04 -0.55935E-02 -0.11050E-01 3584 0.107E-01 0.158E+00 DAV: 5 -0.132866748210E+04 0.11369E-01 -0.81845E-02 3392 0.844E-02 0.398E-01 DAV: 6 -0.132866688996E+04 0.59214E-03 -0.12742E-02 3168 0.596E-02 0.225E-01 DAV: 7 -0.132866678825E+04 0.10171E-03 -0.56002E-03 3136 0.471E-02 0.211E-01 DAV: 8 -0.132866658561E+04 0.20264E-03 -0.21341E-03 3040 0.280E-02 0.180E-01 DAV: 9 -0.132866668940E+04 -0.10379E-03 -0.70391E-04 2784 0.204E-02 0.145E-01 DAV: 10 -0.132866644797E+04 0.24143E-03 -0.12774E-04 2272 0.146E-02 0.394E-02 DAV: 11 -0.132866645448E+04 -0.65068E-05 -0.14412E-04 2208 0.799E-03 303 F= -.13490907E+04 E0= -.13490597E+04 d E =-.139233E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132866704156E+04 -0.59359E-03 -0.72849E+00 2816 0.339E+00 0.740E-01 DAV: 2 -0.132868859138E+04 -0.21550E-01 -0.22827E-01 3232 0.513E-01 0.101E+00 DAV: 3 -0.132870204325E+04 -0.13452E-01 -0.49246E-01 3520 0.217E-01 0.189E+00 DAV: 4 -0.132869677513E+04 0.52681E-02 -0.18833E-01 3648 0.129E-01 0.135E+00 DAV: 5 -0.132868428326E+04 0.12492E-01 -0.49564E-02 3424 0.113E-01 0.393E-01 DAV: 6 -0.132868198517E+04 0.22981E-02 -0.27587E-02 3264 0.724E-02 0.278E-01 DAV: 7 -0.132868519603E+04 -0.32109E-02 -0.32119E-02 3136 0.802E-02 0.682E-01 DAV: 8 -0.132868157675E+04 0.36193E-02 -0.45112E-03 3456 0.476E-02 0.255E-01 DAV: 9 -0.132868161720E+04 -0.40451E-04 -0.32216E-03 2784 0.303E-02 0.200E-01 DAV: 10 -0.132868117876E+04 0.43843E-03 -0.13446E-03 2592 0.252E-02 0.593E-02 DAV: 11 -0.132868116536E+04 0.13404E-04 -0.22768E-04 2176 0.117E-02 304 F= -.13491022E+04 E0= -.13490709E+04 d E =-.115640E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132867704421E+04 0.41346E-02 -0.51921E+00 2816 0.285E+00 0.627E-01 DAV: 2 -0.132869446105E+04 -0.17417E-01 -0.17861E-01 3296 0.435E-01 0.103E+00 DAV: 3 -0.132870192663E+04 -0.74656E-02 -0.40127E-01 3488 0.184E-01 0.160E+00 DAV: 4 -0.132869955616E+04 0.23705E-02 -0.14689E-01 3616 0.115E-01 0.118E+00 DAV: 5 -0.132868925411E+04 0.10302E-01 -0.39132E-02 3392 0.103E-01 0.391E-01 DAV: 6 -0.132868796057E+04 0.12935E-02 -0.16399E-02 3392 0.602E-02 0.299E-01 DAV: 7 -0.132868956332E+04 -0.16028E-02 -0.17753E-02 3296 0.701E-02 0.529E-01 DAV: 8 -0.132868745009E+04 0.21132E-02 -0.51740E-03 3232 0.432E-02 0.226E-01 DAV: 9 -0.132868741328E+04 0.36813E-04 -0.22201E-03 2944 0.246E-02 0.156E-01 DAV: 10 -0.132868714042E+04 0.27286E-03 -0.27990E-04 2400 0.201E-02 0.469E-02 DAV: 11 -0.132868713453E+04 0.58896E-05 -0.86406E-05 2016 0.919E-03 305 F= -.13491056E+04 E0= -.13490741E+04 d E =-.149094E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132868790848E+04 -0.76806E-03 -0.86973E+00 2816 0.370E+00 0.729E-01 DAV: 2 -0.132871067761E+04 -0.22769E-01 -0.22153E-01 3232 0.554E-01 0.820E-01 DAV: 3 -0.132872033199E+04 -0.96544E-02 -0.20018E-01 3712 0.188E-01 0.172E+00 DAV: 4 -0.132871297624E+04 0.73558E-02 -0.38259E-01 3328 0.155E-01 0.139E+00 DAV: 5 -0.132870783466E+04 0.51416E-02 -0.35545E-02 3424 0.795E-02 0.603E-01 DAV: 6 -0.132870523021E+04 0.26044E-02 -0.19964E-02 3040 0.757E-02 0.410E-01 DAV: 7 -0.132870515356E+04 0.76651E-04 -0.15751E-02 3488 0.632E-02 0.269E-01 DAV: 8 -0.132870496770E+04 0.18586E-03 -0.67303E-03 3552 0.445E-02 0.195E-01 DAV: 9 -0.132870467759E+04 0.29011E-03 -0.16669E-03 3008 0.258E-02 0.975E-02 DAV: 10 -0.132870462768E+04 0.49917E-04 -0.98725E-04 2208 0.142E-02 306 F= -.13491191E+04 E0= -.13490877E+04 d E =-.135289E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132869322055E+04 0.11457E-01 -0.10719E+01 2880 0.411E+00 0.807E-01 DAV: 2 -0.132871976939E+04 -0.26549E-01 -0.27001E-01 3232 0.612E-01 0.884E-01 DAV: 3 -0.132873660130E+04 -0.16832E-01 -0.28799E-01 3712 0.201E-01 0.212E+00 DAV: 4 -0.132872279915E+04 0.13802E-01 -0.48392E-01 3328 0.171E-01 0.146E+00 DAV: 5 -0.132871742876E+04 0.53704E-02 -0.36105E-02 3456 0.877E-02 0.647E-01 DAV: 6 -0.132871478448E+04 0.26443E-02 -0.23248E-02 3072 0.860E-02 0.464E-01 DAV: 7 -0.132871469794E+04 0.86542E-04 -0.20720E-02 3456 0.686E-02 0.324E-01 DAV: 8 -0.132871420812E+04 0.48982E-03 -0.89353E-03 3552 0.515E-02 0.197E-01 DAV: 9 -0.132871394084E+04 0.26728E-03 -0.25928E-03 3072 0.279E-02 0.879E-02 DAV: 10 -0.132871390363E+04 0.37215E-04 -0.95670E-04 2400 0.155E-02 307 F= -.13491240E+04 E0= -.13490924E+04 d E =-.184658E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132870773646E+04 0.62044E-02 -0.11884E+01 2880 0.434E+00 0.997E-01 DAV: 2 -0.132877025508E+04 -0.62519E-01 -0.47718E-01 3232 0.687E-01 0.370E+00 DAV: 3 -0.132874077196E+04 0.29483E-01 -0.42814E-01 4000 0.226E-01 0.190E+00 DAV: 4 -0.132874782689E+04 -0.70549E-02 -0.36779E-01 3616 0.183E-01 0.183E+00 DAV: 5 -0.132873080922E+04 0.17018E-01 -0.15026E-01 3488 0.142E-01 0.394E-01 DAV: 6 -0.132874097088E+04 -0.10162E-01 -0.71636E-02 3232 0.107E-01 0.123E+00 DAV: 7 -0.132873110546E+04 0.98654E-02 -0.97170E-02 3264 0.100E-01 0.289E-01 DAV: 8 -0.132873107412E+04 0.31342E-04 -0.52194E-03 3584 0.513E-02 0.172E-01 DAV: 9 -0.132873085078E+04 0.22334E-03 -0.19716E-03 2848 0.230E-02 0.127E-01 DAV: 10 -0.132873074726E+04 0.10352E-03 -0.81020E-04 2656 0.138E-02 0.666E-02 DAV: 11 -0.132873073138E+04 0.15880E-04 -0.23008E-04 2240 0.953E-03 308 F= -.13491365E+04 E0= -.13491049E+04 d E =-.124231E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132872822591E+04 0.25213E-02 -0.34894E+00 2816 0.236E+00 0.546E-01 DAV: 2 -0.132874825843E+04 -0.20033E-01 -0.13301E-01 3200 0.378E-01 0.198E+00 DAV: 3 -0.132873892562E+04 0.93328E-02 -0.12590E-01 3872 0.132E-01 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0.883E-02 0.331E-01 DAV: 8 -0.132875266362E+04 -0.19669E-03 -0.20439E-02 3296 0.623E-02 0.269E-01 DAV: 9 -0.132875181499E+04 0.84863E-03 -0.15989E-03 2784 0.310E-02 0.113E-01 DAV: 10 -0.132875165841E+04 0.15657E-03 -0.48990E-04 2496 0.204E-02 0.458E-02 DAV: 11 -0.132875165437E+04 0.40433E-05 -0.31357E-04 2272 0.964E-03 310 F= -.13491513E+04 E0= -.13491197E+04 d E =-.130274E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132874532558E+04 0.63328E-02 -0.59131E+00 2816 0.307E+00 0.697E-01 DAV: 2 -0.132876992794E+04 -0.24602E-01 -0.19814E-01 3232 0.477E-01 0.207E+00 DAV: 3 -0.132876566693E+04 0.42610E-02 -0.24493E-01 3840 0.159E-01 0.165E+00 DAV: 4 -0.132876220860E+04 0.34583E-02 -0.19245E-01 3328 0.119E-01 0.115E+00 DAV: 5 -0.132875651689E+04 0.56917E-02 -0.48429E-02 3488 0.839E-02 0.295E-01 DAV: 6 -0.132875820067E+04 -0.16838E-02 -0.96897E-03 3232 0.615E-02 0.405E-01 DAV: 7 -0.132875845474E+04 -0.25407E-03 -0.24619E-02 3072 0.693E-02 0.459E-01 DAV: 8 -0.132875683681E+04 0.16179E-02 -0.27975E-02 3040 0.521E-02 0.157E-01 DAV: 9 -0.132875667369E+04 0.16312E-03 -0.78266E-04 2784 0.224E-02 0.798E-02 DAV: 10 -0.132875660296E+04 0.70727E-04 -0.18568E-04 2400 0.121E-02 311 F= -.13491537E+04 E0= -.13491222E+04 d E =-.153682E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132875637525E+04 0.29844E-03 -0.68934E+00 2816 0.330E+00 0.682E-01 DAV: 2 -0.132877190080E+04 -0.15526E-01 -0.17051E-01 3296 0.485E-01 0.569E-01 DAV: 3 -0.132878745448E+04 -0.15554E-01 -0.17825E-01 3712 0.167E-01 0.205E+00 DAV: 4 -0.132877436686E+04 0.13088E-01 -0.11487E-01 3648 0.102E-01 0.877E-01 DAV: 5 -0.132877006834E+04 0.42985E-02 -0.26485E-02 3136 0.874E-02 0.290E-01 DAV: 6 -0.132877058701E+04 -0.51867E-03 -0.10615E-02 3232 0.589E-02 0.321E-01 DAV: 7 -0.132877176389E+04 -0.11769E-02 -0.23559E-02 3424 0.692E-02 0.516E-01 DAV: 8 -0.132876966469E+04 0.20992E-02 -0.15665E-02 3296 0.468E-02 0.127E-01 DAV: 9 -0.132876969270E+04 -0.28014E-04 -0.14127E-03 2880 0.214E-02 0.813E-02 DAV: 10 -0.132876966859E+04 0.24111E-04 -0.64927E-04 2272 0.144E-02 312 F= -.13491631E+04 E0= -.13491314E+04 d E =-.939573E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132875656320E+04 0.13130E-01 -0.12278E+01 2816 0.440E+00 0.913E-01 DAV: 2 -0.132878466179E+04 -0.28099E-01 -0.30900E-01 3296 0.648E-01 0.763E-01 DAV: 3 -0.132880668102E+04 -0.22019E-01 -0.36886E-01 3680 0.233E-01 0.225E+00 DAV: 4 -0.132879504666E+04 0.11634E-01 -0.17985E-01 3584 0.134E-01 0.147E+00 DAV: 5 -0.132878234464E+04 0.12702E-01 -0.77982E-02 3392 0.119E-01 0.460E-01 DAV: 6 -0.132878217280E+04 0.17185E-03 -0.34002E-02 3584 0.879E-02 0.558E-01 DAV: 7 -0.132878134988E+04 0.82292E-03 -0.26180E-02 3488 0.735E-02 0.338E-01 DAV: 8 -0.132878069625E+04 0.65362E-03 -0.96352E-03 3488 0.573E-02 0.216E-01 DAV: 9 -0.132878048307E+04 0.21319E-03 -0.44084E-03 2944 0.370E-02 0.169E-01 DAV: 10 -0.132878025804E+04 0.22503E-03 -0.10209E-03 2560 0.186E-02 0.490E-02 DAV: 11 -0.132878025334E+04 0.46967E-05 -0.17224E-04 2048 0.111E-02 313 F= -.13491688E+04 E0= -.13491369E+04 d E =-.151629E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132878581314E+04 -0.55551E-02 -0.29937E+00 2816 0.219E+00 0.565E-01 DAV: 2 -0.132880688509E+04 -0.21072E-01 -0.17786E-01 3296 0.362E-01 0.209E+00 DAV: 3 -0.132879483464E+04 0.12050E-01 -0.21983E-01 3808 0.132E-01 0.105E+00 DAV: 4 -0.132879619197E+04 -0.13573E-02 -0.93168E-02 3296 0.936E-02 0.835E-01 DAV: 5 -0.132879360843E+04 0.25835E-02 -0.91137E-02 3168 0.882E-02 0.419E-01 DAV: 6 -0.132879156703E+04 0.20414E-02 -0.80372E-03 3136 0.589E-02 0.199E-01 DAV: 7 -0.132879154393E+04 0.23099E-04 -0.28820E-03 3328 0.385E-02 0.138E-01 DAV: 8 -0.132879147400E+04 0.69928E-04 -0.10905E-03 2880 0.225E-02 0.777E-02 DAV: 9 -0.132879147152E+04 0.24876E-05 -0.34380E-04 2496 0.134E-02 314 F= -.13491779E+04 E0= -.13491462E+04 d E =-.904351E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132879183548E+04 -0.36148E-03 -0.18378E+00 2816 0.172E+00 0.448E-01 DAV: 2 -0.132880450193E+04 -0.12666E-01 -0.98513E-02 3328 0.284E-01 0.160E+00 DAV: 3 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DAV: 6 -0.132880574197E+04 0.15980E-02 -0.93223E-03 2944 0.487E-02 0.265E-01 DAV: 7 -0.132880568377E+04 0.58200E-04 -0.47042E-03 3232 0.449E-02 0.205E-01 DAV: 8 -0.132880545858E+04 0.22519E-03 -0.24210E-03 3232 0.303E-02 0.899E-02 DAV: 9 -0.132880544351E+04 0.15071E-04 -0.61890E-04 2464 0.136E-02 316 F= -.13491887E+04 E0= -.13491568E+04 d E =-.870491E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132879688131E+04 0.85773E-02 -0.84563E+00 2816 0.366E+00 0.814E-01 DAV: 2 -0.132882022442E+04 -0.23343E-01 -0.22928E-01 3232 0.542E-01 0.112E+00 DAV: 3 -0.132883866688E+04 -0.18442E-01 -0.34599E-01 3680 0.198E-01 0.267E+00 DAV: 4 -0.132882254513E+04 0.16122E-01 -0.25701E-01 3616 0.140E-01 0.119E+00 DAV: 5 -0.132881846193E+04 0.40832E-02 -0.27689E-01 3360 0.136E-01 0.687E-01 DAV: 6 -0.132881385111E+04 0.46108E-02 -0.26472E-02 3232 0.778E-02 0.401E-01 DAV: 7 -0.132881334430E+04 0.50681E-03 -0.11937E-02 3488 0.738E-02 0.326E-01 DAV: 8 -0.132881284769E+04 0.49661E-03 -0.60069E-03 3552 0.489E-02 0.166E-01 DAV: 9 -0.132881279092E+04 0.56775E-04 -0.18487E-03 2848 0.217E-02 0.998E-02 DAV: 10 -0.132881277265E+04 0.18262E-04 -0.53567E-04 2336 0.135E-02 317 F= -.13491938E+04 E0= -.13491617E+04 d E =-.137684E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132881683578E+04 -0.40449E-02 -0.21747E+00 2816 0.184E+00 0.443E-01 DAV: 2 -0.132882408560E+04 -0.72498E-02 -0.65859E-02 3232 0.281E-01 0.908E-01 DAV: 3 -0.132882786306E+04 -0.37775E-02 -0.12296E-01 3744 0.998E-02 0.140E+00 DAV: 4 -0.132882214884E+04 0.57142E-02 -0.83482E-02 3264 0.794E-02 0.522E-01 DAV: 5 -0.132882114215E+04 0.10067E-02 -0.12846E-02 3328 0.489E-02 0.174E-01 DAV: 6 -0.132882180961E+04 -0.66747E-03 -0.87053E-03 2848 0.407E-02 0.279E-01 DAV: 7 -0.132882172374E+04 0.85870E-04 -0.10831E-02 2656 0.406E-02 0.294E-01 DAV: 8 -0.132882105031E+04 0.67343E-03 -0.16258E-03 2816 0.304E-02 0.843E-02 DAV: 9 -0.132882107495E+04 -0.24636E-04 -0.46762E-04 2624 0.154E-02 318 F= -.13492010E+04 E0= -.13491694E+04 d E =-.717817E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132880931280E+04 0.11738E-01 -0.10782E+01 2816 0.410E+00 0.980E-01 DAV: 2 -0.132884574674E+04 -0.36434E-01 -0.34254E-01 3232 0.625E-01 0.204E+00 DAV: 3 -0.132885950691E+04 -0.13760E-01 -0.55546E-01 3712 0.220E-01 0.279E+00 DAV: 4 -0.132883977795E+04 0.19729E-01 -0.38734E-01 3616 0.170E-01 0.137E+00 DAV: 5 -0.132883270459E+04 0.70734E-02 -0.16076E-01 3456 0.144E-01 0.469E-01 DAV: 6 -0.132883241371E+04 0.29088E-03 -0.43866E-02 3072 0.100E-01 0.621E-01 DAV: 7 -0.132883168911E+04 0.72460E-03 -0.48220E-02 3232 0.855E-02 0.535E-01 DAV: 8 -0.132883021408E+04 0.14750E-02 -0.74010E-03 3392 0.563E-02 0.271E-01 DAV: 9 -0.132883002546E+04 0.18862E-03 -0.29393E-03 3008 0.305E-02 0.134E-01 DAV: 10 -0.132882981207E+04 0.21339E-03 -0.55461E-04 2720 0.216E-02 0.426E-02 DAV: 11 -0.132882981585E+04 -0.37773E-05 -0.53382E-04 2112 0.105E-02 319 F= -.13492072E+04 E0= -.13491752E+04 d E =-.134302E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132883221532E+04 -0.24033E-02 -0.28301E+00 2816 0.211E+00 0.512E-01 DAV: 2 -0.132884055620E+04 -0.83409E-02 -0.81803E-02 3168 0.316E-01 0.832E-01 DAV: 3 -0.132884720134E+04 -0.66451E-02 -0.10906E-01 3616 0.115E-01 0.164E+00 DAV: 4 -0.132884070174E+04 0.64996E-02 -0.94276E-02 3328 0.917E-02 0.586E-01 DAV: 5 -0.132883799692E+04 0.27048E-02 -0.13083E-02 3328 0.678E-02 0.237E-01 DAV: 6 -0.132883813447E+04 -0.13754E-03 -0.34067E-03 3104 0.462E-02 0.205E-01 DAV: 7 -0.132883809819E+04 0.36271E-04 -0.26768E-03 3200 0.394E-02 0.225E-01 DAV: 8 -0.132883778097E+04 0.31723E-03 -0.10357E-03 2784 0.256E-02 0.863E-02 DAV: 9 -0.132883776665E+04 0.14317E-04 -0.50739E-04 2496 0.133E-02 320 F= -.13492144E+04 E0= -.13491828E+04 d E =-.722827E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132883205691E+04 0.57241E-02 -0.55375E+00 2816 0.295E+00 0.725E-01 DAV: 2 -0.132884914826E+04 -0.17091E-01 -0.16354E-01 3168 0.445E-01 0.119E+00 DAV: 3 -0.132886065287E+04 -0.11505E-01 -0.19691E-01 3616 0.171E-01 0.212E+00 DAV: 4 -0.132885246860E+04 0.81843E-02 -0.20250E-01 3552 0.136E-01 0.970E-01 DAV: 5 -0.132884327297E+04 0.91956E-02 -0.42633E-02 3424 0.101E-01 0.295E-01 DAV: 6 -0.132884481634E+04 -0.15434E-02 -0.30405E-02 3392 0.712E-02 0.506E-01 DAV: 7 -0.132884341513E+04 0.14012E-02 -0.29242E-02 3264 0.627E-02 0.276E-01 DAV: 8 -0.132884293836E+04 0.47678E-03 -0.49502E-03 3456 0.394E-02 0.132E-01 DAV: 9 -0.132884289231E+04 0.46042E-04 -0.21654E-03 2784 0.195E-02 0.812E-02 DAV: 10 -0.132884284836E+04 0.43953E-04 -0.40455E-04 2272 0.124E-02 321 F= -.13492185E+04 E0= -.13491866E+04 d E =-.112927E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132884637899E+04 -0.34867E-02 -0.39854E+00 2816 0.252E+00 0.572E-01 DAV: 2 -0.132885909907E+04 -0.12720E-01 -0.12649E-01 3200 0.374E-01 0.857E-01 DAV: 3 -0.132886721472E+04 -0.81156E-02 -0.35379E-01 3456 0.170E-01 0.133E+00 DAV: 4 -0.132886961977E+04 -0.24050E-02 -0.12970E-01 3552 0.111E-01 0.141E+00 DAV: 5 -0.132885724476E+04 0.12375E-01 -0.42071E-02 3392 0.952E-02 0.348E-01 DAV: 6 -0.132885496148E+04 0.22833E-02 -0.12611E-02 3200 0.584E-02 0.316E-01 DAV: 7 -0.132885588070E+04 -0.91922E-03 -0.15500E-02 3264 0.676E-02 0.440E-01 DAV: 8 -0.132885522258E+04 0.65812E-03 -0.36866E-03 3424 0.406E-02 0.348E-01 DAV: 9 -0.132885411295E+04 0.11096E-02 -0.13023E-02 2688 0.362E-02 0.952E-02 DAV: 10 -0.132885413645E+04 -0.23508E-04 -0.51158E-04 2368 0.153E-02 322 F= -.13492283E+04 E0= -.13491973E+04 d E =-.981140E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132884885550E+04 0.52574E-02 -0.56663E+00 2816 0.300E+00 0.688E-01 DAV: 2 -0.132887179692E+04 -0.22941E-01 -0.20131E-01 3136 0.450E-01 0.134E+00 DAV: 3 -0.132887211879E+04 -0.32186E-03 -0.56000E-01 3392 0.200E-01 0.111E+00 DAV: 4 -0.132888498273E+04 -0.12864E-01 -0.20071E-01 3616 0.137E-01 0.211E+00 DAV: 5 -0.132886433615E+04 0.20647E-01 -0.10275E-01 3616 0.113E-01 0.407E-01 DAV: 6 -0.132886207406E+04 0.22621E-02 -0.18897E-02 3296 0.679E-02 0.437E-01 DAV: 7 -0.132886051442E+04 0.15596E-02 -0.66323E-03 3296 0.738E-02 0.325E-01 DAV: 8 -0.132886112710E+04 -0.61268E-03 -0.10464E-02 3616 0.490E-02 0.390E-01 DAV: 9 -0.132885980489E+04 0.13222E-02 -0.74210E-03 2880 0.320E-02 0.129E-01 DAV: 10 -0.132885972151E+04 0.83379E-04 -0.71016E-04 2848 0.202E-02 323 F= -.13492321E+04 E0= -.13492006E+04 d E =-.136118E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132886067087E+04 -0.86598E-03 -0.46688E+00 2816 0.274E+00 0.674E-01 DAV: 2 -0.132887987334E+04 -0.19202E-01 -0.21239E-01 3264 0.425E-01 0.154E+00 DAV: 3 -0.132888313986E+04 -0.32665E-02 -0.38325E-01 3616 0.172E-01 0.191E+00 DAV: 4 -0.132887624632E+04 0.68935E-02 -0.84355E-02 3616 0.115E-01 0.884E-01 DAV: 5 -0.132886992516E+04 0.63212E-02 -0.15816E-02 3488 0.965E-02 0.349E-01 DAV: 6 -0.132886990746E+04 0.17698E-04 -0.14759E-02 3520 0.553E-02 0.261E-01 DAV: 7 -0.132886963752E+04 0.26994E-03 -0.28346E-03 3232 0.399E-02 0.131E-01 DAV: 8 -0.132886957638E+04 0.61137E-04 -0.17558E-03 3040 0.274E-02 0.968E-02 DAV: 9 -0.132886973295E+04 -0.15657E-03 -0.86942E-04 2528 0.214E-02 0.139E-01 DAV: 10 -0.132886952267E+04 0.21028E-03 -0.22761E-04 2112 0.160E-02 0.530E-02 DAV: 11 -0.132886951553E+04 0.71378E-05 -0.24706E-04 2208 0.735E-03 324 F= -.13492404E+04 E0= -.13492088E+04 d E =-.832145E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132886655823E+04 0.29644E-02 -0.33944E+00 2816 0.233E+00 0.567E-01 DAV: 2 -0.132887843561E+04 -0.11877E-01 -0.13451E-01 3232 0.359E-01 0.117E+00 DAV: 3 -0.132888389695E+04 -0.54613E-02 -0.21665E-01 3648 0.135E-01 0.179E+00 DAV: 4 -0.132887504708E+04 0.88499E-02 -0.62441E-02 3392 0.929E-02 0.691E-01 DAV: 5 -0.132887365446E+04 0.13926E-02 -0.12196E-02 3520 0.699E-02 0.371E-01 DAV: 6 -0.132887419045E+04 -0.53599E-03 -0.56130E-03 3040 0.580E-02 0.304E-01 DAV: 7 -0.132887372642E+04 0.46403E-03 -0.90151E-03 3040 0.566E-02 0.312E-01 DAV: 8 -0.132887307817E+04 0.64826E-03 -0.72107E-03 3296 0.416E-02 0.121E-01 DAV: 9 -0.132887300832E+04 0.69847E-04 -0.65073E-04 2368 0.178E-02 325 F= -.13492427E+04 E0= -.13492114E+04 d E =-.105392E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132887444620E+04 -0.13680E-02 -0.34955E+00 2816 0.238E+00 0.542E-01 DAV: 2 -0.132888387178E+04 -0.94256E-02 -0.91049E-02 3232 0.356E-01 0.699E-01 DAV: 3 -0.132889620264E+04 -0.12331E-01 -0.20867E-01 3616 0.136E-01 0.188E+00 DAV: 4 -0.132888213989E+04 0.14063E-01 -0.13993E-01 3392 0.106E-01 0.564E-01 DAV: 5 -0.132888146342E+04 0.67647E-03 -0.19208E-02 3552 0.619E-02 0.244E-01 DAV: 6 -0.132888326900E+04 -0.18056E-02 -0.22809E-02 2912 0.595E-02 0.495E-01 DAV: 7 -0.132888170363E+04 0.15654E-02 -0.21614E-02 2944 0.535E-02 0.351E-01 DAV: 8 -0.132888111114E+04 0.59248E-03 -0.25079E-03 3200 0.353E-02 0.139E-01 DAV: 9 -0.132888108035E+04 0.30798E-04 -0.79210E-04 2656 0.174E-02 326 F= -.13492501E+04 E0= -.13492186E+04 d E =-.741098E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132887971495E+04 0.13962E-02 -0.17824E+00 2880 0.170E+00 0.389E-01 DAV: 2 -0.132888404302E+04 -0.43281E-02 -0.45612E-02 3232 0.254E-01 0.410E-01 DAV: 3 -0.132889080281E+04 -0.67598E-02 -0.91950E-02 3680 0.936E-02 0.138E+00 DAV: 4 -0.132888363053E+04 0.71723E-02 -0.81469E-02 3264 0.758E-02 0.414E-01 DAV: 5 -0.132888319220E+04 0.43834E-03 -0.10886E-02 3008 0.415E-02 0.164E-01 DAV: 6 -0.132888383834E+04 -0.64614E-03 -0.67794E-03 2912 0.389E-02 0.281E-01 DAV: 7 -0.132888359830E+04 0.24004E-03 -0.75778E-03 2688 0.387E-02 0.257E-01 DAV: 8 -0.132888312807E+04 0.47023E-03 -0.11095E-03 2624 0.278E-02 0.107E-01 DAV: 9 -0.132888310102E+04 0.27047E-04 -0.39074E-04 2496 0.146E-02 327 F= -.13492516E+04 E0= -.13492201E+04 d E =-.894183E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132888474318E+04 -0.16151E-02 -0.31092E+00 2816 0.222E+00 0.452E-01 DAV: 2 -0.132889135887E+04 -0.66157E-02 -0.69416E-02 3136 0.319E-01 0.315E-01 DAV: 3 -0.132889817513E+04 -0.68163E-02 -0.41884E-02 3712 0.988E-02 0.109E+00 DAV: 4 -0.132889149253E+04 0.66826E-02 -0.96502E-02 3328 0.862E-02 0.359E-01 DAV: 5 -0.132889114442E+04 0.34811E-03 -0.42318E-03 3072 0.465E-02 0.422E-01 DAV: 6 -0.132889165831E+04 -0.51389E-03 -0.18557E-02 2944 0.405E-02 0.549E-01 DAV: 7 -0.132889057373E+04 0.10846E-02 -0.11364E-02 3328 0.440E-02 0.925E-02 DAV: 8 -0.132889061906E+04 -0.45332E-04 -0.10832E-03 2944 0.214E-02 0.569E-02 DAV: 9 -0.132889060384E+04 0.15223E-04 -0.30112E-04 2272 0.117E-02 328 F= -.13492585E+04 E0= -.13492267E+04 d E =-.691263E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132888425004E+04 0.63690E-02 -0.58029E+00 2816 0.304E+00 0.620E-01 DAV: 2 -0.132889647866E+04 -0.12229E-01 -0.13052E-01 3168 0.435E-01 0.428E-01 DAV: 3 -0.132890727018E+04 -0.10792E-01 -0.92605E-02 3552 0.128E-01 0.144E+00 DAV: 4 -0.132889728269E+04 0.99875E-02 -0.19443E-01 3360 0.115E-01 0.575E-01 DAV: 5 -0.132889645961E+04 0.82308E-03 -0.10739E-02 3392 0.604E-02 0.581E-01 DAV: 6 -0.132889679419E+04 -0.33458E-03 -0.24412E-02 3136 0.605E-02 0.589E-01 DAV: 7 -0.132889526039E+04 0.15338E-02 -0.13787E-02 3264 0.607E-02 0.156E-01 DAV: 8 -0.132889526132E+04 -0.93802E-06 -0.28022E-03 3296 0.303E-02 0.105E-01 DAV: 9 -0.132889520736E+04 0.53966E-04 -0.68196E-04 2496 0.159E-02 329 F= -.13492623E+04 E0= -.13492305E+04 d E =-.106636E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132889707154E+04 -0.18102E-02 -0.34455E+00 2816 0.239E+00 0.548E-01 DAV: 2 -0.132890843342E+04 -0.11362E-01 -0.11802E-01 3168 0.359E-01 0.853E-01 DAV: 3 -0.132891517967E+04 -0.67463E-02 -0.29509E-01 3488 0.155E-01 0.132E+00 DAV: 4 -0.132891550155E+04 -0.32188E-03 -0.11303E-01 3616 0.995E-02 0.124E+00 DAV: 5 -0.132890502977E+04 0.10472E-01 -0.33485E-02 3328 0.907E-02 0.352E-01 DAV: 6 -0.132890403643E+04 0.99333E-03 -0.63491E-03 3424 0.544E-02 0.299E-01 DAV: 7 -0.132890476079E+04 -0.72436E-03 -0.79554E-03 3232 0.532E-02 0.365E-01 DAV: 8 -0.132890400811E+04 0.75268E-03 -0.44376E-03 3200 0.364E-02 0.228E-01 DAV: 9 -0.132890360231E+04 0.40580E-03 -0.24445E-03 2656 0.223E-02 0.508E-02 DAV: 10 -0.132890365458E+04 -0.52270E-04 -0.21762E-04 2144 0.147E-02 330 F= -.13492705E+04 E0= -.13492391E+04 d E =-.827850E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132890281995E+04 0.78236E-03 -0.10583E+00 2816 0.132E+00 0.308E-01 DAV: 2 -0.132890565777E+04 -0.28378E-02 -0.30922E-02 3264 0.200E-01 0.418E-01 DAV: 3 -0.132890950372E+04 -0.38459E-02 -0.50756E-02 3648 0.737E-02 0.116E+00 DAV: 4 -0.132890514950E+04 0.43542E-02 -0.31193E-02 3104 0.540E-02 0.323E-01 DAV: 5 -0.132890516267E+04 -0.13168E-04 -0.40156E-03 2944 0.360E-02 0.214E-01 DAV: 6 -0.132890515327E+04 0.93995E-05 -0.79304E-04 2592 0.323E-02 331 F= -.13492719E+04 E0= -.13492414E+04 d E =-.966364E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132890561295E+04 -0.45028E-03 -0.35249E+00 2816 0.243E+00 0.655E-01 DAV: 2 -0.132895439406E+04 -0.48781E-01 -0.35651E-01 3328 0.413E-01 0.308E+00 DAV: 3 -0.132891549162E+04 0.38902E-01 -0.73702E-01 3424 0.218E-01 0.571E-01 DAV: 4 -0.132891418356E+04 0.13081E-02 -0.40724E-02 3200 0.122E-01 0.753E-01 DAV: 5 -0.132891360950E+04 0.57406E-03 -0.45331E-02 3296 0.809E-02 0.777E-01 DAV: 6 -0.132891353195E+04 0.77553E-04 -0.26401E-02 3232 0.531E-02 0.493E-01 DAV: 7 -0.132891182687E+04 0.17051E-02 -0.78683E-03 3168 0.589E-02 0.187E-01 DAV: 8 -0.132891176191E+04 0.64960E-04 -0.22165E-03 3296 0.320E-02 0.122E-01 DAV: 9 -0.132891164073E+04 0.12118E-03 -0.55367E-04 2560 0.164E-02 0.679E-02 DAV: 10 -0.132891160615E+04 0.34582E-04 -0.39591E-04 2112 0.822E-03 332 F= -.13492781E+04 E0= -.13492460E+04 d E =-.613573E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132891150540E+04 0.13534E-03 -0.62244E-01 2816 0.102E+00 0.265E-01 DAV: 2 -0.132891921076E+04 -0.77054E-02 -0.39083E-02 3232 0.171E-01 0.106E+00 DAV: 3 -0.132891314373E+04 0.60670E-02 -0.63107E-02 3328 0.861E-02 0.241E-01 DAV: 4 -0.132891334640E+04 -0.20268E-03 -0.34588E-03 2752 0.499E-02 0.392E-01 DAV: 5 -0.132891308220E+04 0.26420E-03 -0.58176E-03 2784 0.372E-02 0.339E-01 DAV: 6 -0.132891271008E+04 0.37212E-03 -0.56993E-03 2720 0.220E-02 0.145E-01 DAV: 7 -0.132891267389E+04 0.36191E-04 -0.10907E-03 2624 0.210E-02 0.709E-02 DAV: 8 -0.132891264832E+04 0.25572E-04 -0.31712E-04 2176 0.134E-02 333 F= -.13492790E+04 E0= -.13492466E+04 d E =-.702995E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132891603269E+04 -0.33588E-02 -0.35634E+00 2816 0.243E+00 0.620E-01 DAV: 2 -0.132892687141E+04 -0.10839E-01 -0.10800E-01 3296 0.377E-01 0.700E-01 DAV: 3 -0.132893589550E+04 -0.90241E-02 -0.14662E-01 3552 0.151E-01 0.150E+00 DAV: 4 -0.132892728259E+04 0.86129E-02 -0.31276E-01 3104 0.139E-01 0.775E-01 DAV: 5 -0.132892650595E+04 0.77663E-03 -0.29074E-02 3424 0.732E-02 0.839E-01 DAV: 6 -0.132892299907E+04 0.35069E-02 -0.22967E-02 3040 0.610E-02 0.370E-01 DAV: 7 -0.132892301571E+04 -0.16637E-04 -0.11854E-02 3040 0.454E-02 0.272E-01 DAV: 8 -0.132892273050E+04 0.28521E-03 -0.49425E-03 3264 0.421E-02 0.190E-01 DAV: 9 -0.132892251581E+04 0.21468E-03 -0.17637E-03 2848 0.226E-02 0.833E-02 DAV: 10 -0.132892252811E+04 -0.12297E-04 -0.78891E-04 2400 0.112E-02 334 F= -.13492874E+04 E0= -.13492549E+04 d E =-.844850E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132892246858E+04 0.47233E-04 -0.10213E+00 2816 0.130E+00 0.334E-01 DAV: 2 -0.132892557320E+04 -0.31046E-02 -0.29554E-02 3264 0.201E-01 0.377E-01 DAV: 3 -0.132892878981E+04 -0.32166E-02 -0.36252E-02 3520 0.857E-02 0.799E-01 DAV: 4 -0.132892547746E+04 0.33123E-02 -0.63422E-02 2880 0.747E-02 0.326E-01 DAV: 5 -0.132892498474E+04 0.49273E-03 -0.60264E-03 2752 0.437E-02 0.437E-01 DAV: 6 -0.132892455857E+04 0.42616E-03 -0.79810E-03 2752 0.285E-02 0.246E-01 DAV: 7 -0.132892448653E+04 0.72046E-04 -0.45084E-03 2720 0.243E-02 0.156E-01 DAV: 8 -0.132892441822E+04 0.68308E-04 -0.16369E-03 2752 0.216E-02 0.968E-02 DAV: 9 -0.132892436676E+04 0.51456E-04 -0.46098E-04 2208 0.120E-02 335 F= -.13492885E+04 E0= -.13492559E+04 d E =-.950670E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132892640569E+04 -0.19875E-02 -0.33290E+00 2816 0.236E+00 0.572E-01 DAV: 2 -0.132894118770E+04 -0.14782E-01 -0.14219E-01 3168 0.374E-01 0.754E-01 DAV: 3 -0.132893589632E+04 0.52914E-02 -0.68140E-02 3488 0.154E-01 0.825E-01 DAV: 4 -0.132893649466E+04 -0.59835E-03 -0.83499E-02 3424 0.933E-02 0.109E+00 DAV: 5 -0.132893310599E+04 0.33887E-02 -0.32793E-02 3328 0.579E-02 0.468E-01 DAV: 6 -0.132893269041E+04 0.41558E-03 -0.82056E-03 3136 0.466E-02 0.271E-01 DAV: 7 -0.132893251530E+04 0.17511E-03 -0.50569E-03 3264 0.390E-02 0.171E-01 DAV: 8 -0.132893346464E+04 -0.94934E-03 -0.99964E-03 3040 0.388E-02 0.337E-01 DAV: 9 -0.132893239083E+04 0.10738E-02 -0.51121E-03 2432 0.231E-02 0.863E-02 DAV: 10 -0.132893236913E+04 0.21701E-04 -0.23058E-04 2144 0.108E-02 336 F= -.13492951E+04 E0= -.13492625E+04 d E =-.662272E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132893173232E+04 0.65851E-03 -0.15417E+00 2816 0.160E+00 0.386E-01 DAV: 2 -0.132893755027E+04 -0.58179E-02 -0.43996E-02 3168 0.247E-01 0.519E-01 DAV: 3 -0.132893887056E+04 -0.13203E-02 -0.48905E-02 3456 0.104E-01 0.787E-01 DAV: 4 -0.132893702795E+04 0.18426E-02 -0.90560E-02 3008 0.892E-02 0.524E-01 DAV: 5 -0.132893582824E+04 0.11997E-02 -0.10214E-02 2976 0.447E-02 0.488E-01 DAV: 6 -0.132893481380E+04 0.10144E-02 -0.96904E-03 2784 0.361E-02 0.251E-01 DAV: 7 -0.132893475573E+04 0.58065E-04 -0.52198E-03 3104 0.325E-02 0.179E-01 DAV: 8 -0.132893471721E+04 0.38526E-04 -0.22109E-03 2912 0.262E-02 0.122E-01 DAV: 9 -0.132893458841E+04 0.12880E-03 -0.38738E-04 2272 0.147E-02 0.594E-02 DAV: 10 -0.132893456946E+04 0.18947E-04 -0.27431E-04 2112 0.746E-03 337 F= -.13492963E+04 E0= -.13492638E+04 d E =-.786287E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132893606208E+04 -0.14737E-02 -0.37458E+00 2816 0.251E+00 0.625E-01 DAV: 2 -0.132895195946E+04 -0.15897E-01 -0.14074E-01 3168 0.388E-01 0.160E+00 DAV: 3 -0.132895034861E+04 0.16108E-02 -0.15450E-01 3712 0.134E-01 0.148E+00 DAV: 4 -0.132894797655E+04 0.23721E-02 -0.10094E-01 3392 0.108E-01 0.784E-01 DAV: 5 -0.132894309104E+04 0.48855E-02 -0.23080E-02 3424 0.738E-02 0.183E-01 DAV: 6 -0.132894454248E+04 -0.14514E-02 -0.11284E-02 3200 0.521E-02 0.412E-01 DAV: 7 -0.132894351349E+04 0.10290E-02 -0.15237E-02 3200 0.469E-02 0.153E-01 DAV: 8 -0.132894329576E+04 0.21774E-03 -0.11496E-03 2528 0.259E-02 0.699E-02 DAV: 9 -0.132894324487E+04 0.50888E-04 -0.60958E-04 2240 0.144E-02 338 F= -.13493038E+04 E0= -.13492717E+04 d E =-.747045E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132894289135E+04 0.40441E-03 -0.92734E-01 2816 0.125E+00 0.315E-01 DAV: 2 -0.132894672122E+04 -0.38299E-02 -0.34714E-02 3168 0.193E-01 0.773E-01 DAV: 3 -0.132894678164E+04 -0.60415E-04 -0.42014E-02 3680 0.676E-02 0.818E-01 DAV: 4 -0.132894589386E+04 0.88778E-03 -0.26354E-02 3200 0.544E-02 0.399E-01 DAV: 5 -0.132894485063E+04 0.10432E-02 -0.55781E-03 2816 0.405E-02 0.149E-01 DAV: 6 -0.132894517489E+04 -0.32425E-03 -0.23645E-03 2528 0.331E-02 0.171E-01 DAV: 7 -0.132894479435E+04 0.38053E-03 -0.12193E-03 2752 0.268E-02 0.133E-01 DAV: 8 -0.132894470179E+04 0.92558E-04 -0.96453E-04 2528 0.159E-02 339 F= -.13493046E+04 E0= -.13492726E+04 d E =-.830362E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132894494845E+04 -0.15410E-03 -0.43682E+00 2816 0.269E+00 0.677E-01 DAV: 2 -0.132898112558E+04 -0.36177E-01 -0.22847E-01 3104 0.435E-01 0.258E+00 DAV: 3 -0.132895581545E+04 0.25310E-01 -0.28069E-01 3456 0.192E-01 0.684E-01 DAV: 4 -0.132895696425E+04 -0.11488E-02 -0.41114E-02 3360 0.971E-02 0.778E-01 DAV: 5 -0.132895409764E+04 0.28666E-02 -0.41033E-02 3264 0.712E-02 0.609E-01 DAV: 6 -0.132895400470E+04 0.92941E-04 -0.12688E-02 3104 0.564E-02 0.331E-01 DAV: 7 -0.132895424063E+04 -0.23593E-03 -0.18762E-02 3392 0.633E-02 0.385E-01 DAV: 8 -0.132895312390E+04 0.11167E-02 -0.10245E-02 3104 0.414E-02 0.168E-01 DAV: 9 -0.132895308081E+04 0.43087E-04 -0.12764E-03 2784 0.212E-02 0.101E-01 DAV: 10 -0.132895300952E+04 0.71294E-04 -0.16616E-04 2336 0.101E-02 340 F= -.13493122E+04 E0= -.13492799E+04 d E =-.760272E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132895252174E+04 0.55907E-03 -0.97967E-01 2816 0.127E+00 0.326E-01 DAV: 2 -0.132896184585E+04 -0.93241E-02 -0.49297E-02 3104 0.210E-01 0.120E+00 DAV: 3 -0.132895514597E+04 0.66999E-02 -0.63513E-02 3424 0.984E-02 0.359E-01 DAV: 4 -0.132895497448E+04 0.17149E-03 -0.10462E-02 3072 0.498E-02 0.335E-01 DAV: 5 -0.132895482724E+04 0.14723E-03 -0.11827E-02 2944 0.363E-02 0.391E-01 DAV: 6 -0.132895460606E+04 0.22119E-03 -0.44899E-03 2848 0.300E-02 0.203E-01 DAV: 7 -0.132895451420E+04 0.91860E-04 -0.10078E-03 2624 0.295E-02 0.158E-01 DAV: 8 -0.132895435153E+04 0.16267E-03 -0.93346E-04 2688 0.205E-02 0.610E-02 DAV: 9 -0.132895434880E+04 0.27317E-05 -0.33983E-04 2304 0.100E-02 341 F= -.13493132E+04 E0= -.13492808E+04 d E =-.858853E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132895293085E+04 0.14207E-02 -0.54071E+00 2816 0.300E+00 0.753E-01 DAV: 2 -0.132898344087E+04 -0.30510E-01 -0.22629E-01 3392 0.484E-01 0.262E+00 DAV: 3 -0.132897032087E+04 0.13120E-01 -0.25937E-01 3552 0.167E-01 0.154E+00 DAV: 4 -0.132897016680E+04 0.15407E-03 -0.20160E-01 3424 0.144E-01 0.117E+00 DAV: 5 -0.132896310950E+04 0.70573E-02 -0.60490E-02 3424 0.967E-02 0.379E-01 DAV: 6 -0.132896317771E+04 -0.68207E-04 -0.13365E-02 3296 0.567E-02 0.254E-01 DAV: 7 -0.132896520892E+04 -0.20312E-02 -0.22190E-02 3104 0.567E-02 0.525E-01 DAV: 8 -0.132896330230E+04 0.19066E-02 -0.37443E-02 2912 0.556E-02 0.196E-01 DAV: 9 -0.132896280661E+04 0.49569E-03 -0.27680E-03 2848 0.296E-02 0.724E-02 DAV: 10 -0.132896278888E+04 0.17736E-04 -0.31619E-04 2624 0.123E-02 342 F= -.13493206E+04 E0= -.13492885E+04 d E =-.735100E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132896286053E+04 -0.53920E-04 -0.70527E-02 2912 0.343E-01 0.929E-02 DAV: 2 -0.132896326338E+04 -0.40284E-03 -0.36298E-03 3488 0.570E-02 0.250E-01 DAV: 3 -0.132896316750E+04 0.95878E-04 -0.37490E-03 2688 0.217E-02 0.238E-01 DAV: 4 -0.132896310012E+04 0.67383E-04 -0.27631E-03 2496 0.167E-02 0.138E-01 DAV: 5 -0.132896309457E+04 0.55482E-05 -0.83282E-04 2400 0.154E-02 343 F= -.13493207E+04 E0= -.13492877E+04 d E =-.752809E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132896477586E+04 -0.16757E-02 -0.23541E+00 2816 0.199E+00 0.596E-01 DAV: 2 -0.132899368437E+04 -0.28909E-01 -0.29346E-01 3296 0.355E-01 0.227E+00 DAV: 3 -0.132897497809E+04 0.18706E-01 -0.24315E-01 3520 0.147E-01 0.119E+00 DAV: 4 -0.132897673658E+04 -0.17585E-02 -0.61809E-02 3360 0.127E-01 0.110E+00 DAV: 5 -0.132897220958E+04 0.45270E-02 -0.17276E-01 3200 0.117E-01 0.408E-01 DAV: 6 -0.132897008634E+04 0.21232E-02 -0.70221E-03 3264 0.579E-02 0.340E-01 DAV: 7 -0.132896944407E+04 0.64228E-03 -0.47060E-03 3104 0.454E-02 0.245E-01 DAV: 8 -0.132896911261E+04 0.33146E-03 -0.28423E-03 3072 0.307E-02 0.115E-01 DAV: 9 -0.132896909137E+04 0.21239E-04 -0.77143E-04 2656 0.160E-02 344 F= -.13493253E+04 E0= -.13492933E+04 d E =-.458385E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132896946923E+04 -0.35662E-03 -0.21638E-01 2880 0.602E-01 0.200E-01 DAV: 2 -0.132897395972E+04 -0.44905E-02 -0.29114E-02 3232 0.117E-01 0.822E-01 DAV: 3 -0.132897050564E+04 0.34541E-02 -0.31182E-02 3232 0.593E-02 0.424E-01 DAV: 4 -0.132897067514E+04 -0.16951E-03 -0.52057E-03 2976 0.443E-02 0.318E-01 DAV: 5 -0.132897002867E+04 0.64647E-03 -0.32788E-03 2816 0.346E-02 0.143E-01 DAV: 6 -0.132896987539E+04 0.15328E-03 -0.11913E-03 2592 0.168E-02 0.850E-02 DAV: 7 -0.132896989510E+04 -0.19716E-04 -0.45821E-04 2432 0.126E-02 345 F= -.13493257E+04 E0= -.13492933E+04 d E =-.495175E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132897164226E+04 -0.17669E-02 -0.19383E+00 2816 0.179E+00 0.487E-01 DAV: 2 -0.132897794255E+04 -0.63003E-02 -0.50644E-02 3200 0.277E-01 0.488E-01 DAV: 3 -0.132898574737E+04 -0.78048E-02 -0.69059E-02 3584 0.127E-01 0.132E+00 DAV: 4 -0.132897814223E+04 0.76051E-02 -0.18422E-01 3136 0.116E-01 0.519E-01 DAV: 5 -0.132897606910E+04 0.20731E-02 -0.56946E-03 3104 0.547E-02 0.398E-01 DAV: 6 -0.132897621755E+04 -0.14845E-03 -0.12103E-02 2720 0.340E-02 0.421E-01 DAV: 7 -0.132897544502E+04 0.77253E-03 -0.62272E-03 2976 0.372E-02 0.117E-01 DAV: 8 -0.132897544666E+04 -0.16374E-05 -0.15908E-03 2880 0.224E-02 0.881E-02 DAV: 9 -0.132897542107E+04 0.25585E-04 -0.38476E-04 2368 0.111E-02 346 F= -.13493306E+04 E0= -.13492981E+04 d E =-.486515E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132897507942E+04 0.36723E-03 -0.82010E-01 2816 0.117E+00 0.323E-01 DAV: 2 -0.132897753826E+04 -0.24588E-02 -0.21997E-02 3264 0.180E-01 0.394E-01 DAV: 3 -0.132897958583E+04 -0.20476E-02 -0.10880E-02 3552 0.713E-02 0.849E-01 DAV: 4 -0.132897794677E+04 0.16391E-02 -0.23792E-02 3200 0.620E-02 0.628E-01 DAV: 5 -0.132897694816E+04 0.99861E-03 -0.16853E-02 2720 0.368E-02 0.207E-01 DAV: 6 -0.132897696327E+04 -0.15114E-04 -0.14310E-03 2656 0.305E-02 0.191E-01 DAV: 7 -0.132897683284E+04 0.13044E-03 -0.77813E-04 2592 0.276E-02 0.130E-01 DAV: 8 -0.132897669423E+04 0.13860E-03 -0.78574E-04 2528 0.175E-02 0.312E-02 DAV: 9 -0.132897669887E+04 -0.46390E-05 -0.11351E-04 2240 0.818E-03 347 F= -.13493314E+04 E0= -.13492994E+04 d E =-.569501E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132897827819E+04 -0.15840E-02 -0.19256E+00 2816 0.178E+00 0.422E-01 DAV: 2 -0.132898932680E+04 -0.11049E-01 -0.10105E-01 3168 0.287E-01 0.109E+00 DAV: 3 -0.132898609132E+04 0.32355E-02 -0.20237E-01 3584 0.129E-01 0.772E-01 DAV: 4 -0.132898762687E+04 -0.15356E-02 -0.38874E-02 3456 0.734E-02 0.103E+00 DAV: 5 -0.132898229118E+04 0.53357E-02 -0.25420E-02 3200 0.692E-02 0.326E-01 DAV: 6 -0.132898232496E+04 -0.33779E-04 -0.77869E-03 3040 0.392E-02 0.205E-01 DAV: 7 -0.132898222867E+04 0.96294E-04 -0.26734E-03 2912 0.403E-02 0.181E-01 DAV: 8 -0.132898207758E+04 0.15109E-03 -0.18174E-03 2976 0.262E-02 0.127E-01 DAV: 9 -0.132898208171E+04 -0.41326E-05 -0.16186E-03 2464 0.150E-02 0.974E-02 DAV: 10 -0.132898194794E+04 0.13377E-03 -0.18739E-04 2080 0.109E-02 0.364E-02 DAV: 11 -0.132898194555E+04 0.23940E-05 -0.75046E-05 2048 0.626E-03 348 F= -.13493360E+04 E0= -.13493044E+04 d E =-.464058E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132898043479E+04 0.15132E-02 -0.19879E+00 2816 0.181E+00 0.428E-01 DAV: 2 -0.132899155690E+04 -0.11122E-01 -0.99265E-02 3168 0.291E-01 0.108E+00 DAV: 3 -0.132898839400E+04 0.31629E-02 -0.20108E-01 3488 0.130E-01 0.717E-01 DAV: 4 -0.132899016969E+04 -0.17757E-02 -0.42760E-02 3424 0.751E-02 0.110E+00 DAV: 5 -0.132898456433E+04 0.56054E-02 -0.30053E-02 3264 0.689E-02 0.331E-01 DAV: 6 -0.132898460178E+04 -0.37448E-04 -0.77366E-03 3104 0.397E-02 0.207E-01 DAV: 7 -0.132898450601E+04 0.95770E-04 -0.27690E-03 2976 0.405E-02 0.185E-01 DAV: 8 -0.132898435859E+04 0.14742E-03 -0.17674E-03 3040 0.264E-02 0.133E-01 DAV: 9 -0.132898437177E+04 -0.13174E-04 -0.16331E-03 2368 0.150E-02 0.103E-01 DAV: 10 -0.132898422289E+04 0.14887E-03 -0.20503E-04 2112 0.113E-02 0.393E-02 DAV: 11 -0.132898421945E+04 0.34444E-05 -0.83527E-05 2080 0.647E-03 349 F= -.13493377E+04 E0= -.13493061E+04 d E =-.625998E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132898498922E+04 -0.76633E-03 -0.25592E+00 2816 0.205E+00 0.670E-01 DAV: 2 -0.132902955044E+04 -0.44561E-01 -0.24927E-01 3360 0.384E-01 0.333E+00 DAV: 3 -0.132898991821E+04 0.39632E-01 -0.25029E-01 3616 0.198E-01 0.747E-01 DAV: 4 -0.132899369219E+04 -0.37740E-02 -0.70411E-02 3296 0.103E-01 0.905E-01 DAV: 5 -0.132899108812E+04 0.26041E-02 -0.62709E-02 3264 0.795E-02 0.622E-01 DAV: 6 -0.132899069553E+04 0.39259E-03 -0.24105E-02 3168 0.662E-02 0.293E-01 DAV: 7 -0.132898975332E+04 0.94221E-03 -0.30473E-03 2688 0.497E-02 0.219E-01 DAV: 8 -0.132898964570E+04 0.10762E-03 -0.24348E-03 2976 0.321E-02 0.155E-01 DAV: 9 -0.132898950835E+04 0.13735E-03 -0.12876E-03 2688 0.201E-02 0.419E-02 DAV: 10 -0.132898953213E+04 -0.23783E-04 -0.12303E-04 1984 0.826E-03 350 F= -.13493423E+04 E0= -.13493106E+04 d E =-.466904E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132898962692E+04 -0.11857E-03 -0.16032E-01 2816 0.514E-01 0.169E-01 DAV: 2 -0.132899204921E+04 -0.24223E-02 -0.10117E-02 3264 0.964E-02 0.711E-01 DAV: 3 -0.132899005864E+04 0.19906E-02 -0.10936E-02 3232 0.479E-02 0.277E-01 DAV: 4 -0.132899056117E+04 -0.50253E-03 -0.86727E-03 2848 0.330E-02 0.313E-01 DAV: 5 -0.132899000761E+04 0.55356E-03 -0.36743E-03 2656 0.276E-02 0.130E-01 DAV: 6 -0.132898995604E+04 0.51570E-04 -0.72496E-04 2528 0.160E-02 351 F= -.13493426E+04 E0= -.13493113E+04 d E =-.492392E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132899141075E+04 -0.14031E-02 -0.89928E-01 2816 0.123E+00 0.417E-01 DAV: 2 -0.132900159229E+04 -0.10182E-01 -0.97829E-02 3360 0.220E-01 0.154E+00 DAV: 3 -0.132899457167E+04 0.70206E-02 -0.10207E-01 3648 0.914E-02 0.727E-01 DAV: 4 -0.132899546473E+04 -0.89306E-03 -0.13739E-02 3328 0.783E-02 0.476E-01 DAV: 5 -0.132899313525E+04 0.23295E-02 -0.45116E-03 3232 0.578E-02 0.136E-01 DAV: 6 -0.132899367434E+04 -0.53908E-03 -0.25456E-03 2656 0.360E-02 0.234E-01 DAV: 7 -0.132899316132E+04 0.51302E-03 -0.19420E-03 2848 0.289E-02 0.139E-01 DAV: 8 -0.132899305661E+04 0.10471E-03 -0.12593E-03 2592 0.174E-02 0.441E-02 DAV: 9 -0.132899307143E+04 -0.14818E-04 -0.33793E-04 2336 0.104E-02 352 F= -.13493457E+04 E0= -.13493141E+04 d E =-.314578E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132899309414E+04 -0.37528E-04 -0.12724E-01 2816 0.461E-01 0.160E-01 DAV: 2 -0.132899438026E+04 -0.12861E-02 -0.13962E-02 3392 0.834E-02 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E dE d eps ncg rms rms(c) DAV: 1 -0.132901266550E+04 0.20410E-02 -0.14643E+00 2816 0.155E+00 0.392E-01 DAV: 2 -0.132901784991E+04 -0.51844E-02 -0.40163E-02 3264 0.247E-01 0.823E-01 DAV: 3 -0.132901965959E+04 -0.18097E-02 -0.44801E-02 3776 0.870E-02 0.109E+00 DAV: 4 -0.132901718203E+04 0.24776E-02 -0.65976E-02 3264 0.697E-02 0.634E-01 DAV: 5 -0.132901542150E+04 0.17605E-02 -0.16197E-02 3296 0.475E-02 0.134E-01 DAV: 6 -0.132901598062E+04 -0.55912E-03 -0.27566E-03 3040 0.326E-02 0.208E-01 DAV: 7 -0.132901590387E+04 0.76755E-04 -0.13816E-03 2592 0.336E-02 0.179E-01 DAV: 8 -0.132901561114E+04 0.29273E-03 -0.10067E-03 2592 0.273E-02 0.643E-02 DAV: 9 -0.132901555793E+04 0.53208E-04 -0.69922E-04 2272 0.123E-02 365 F= -.13493728E+04 E0= -.13493423E+04 d E =-.507768E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901555678E+04 0.54356E-04 -0.18201E+00 2816 0.174E+00 0.488E-01 DAV: 2 -0.132904220278E+04 -0.26646E-01 -0.15223E-01 3488 0.316E-01 0.283E+00 DAV: 3 -0.132901843257E+04 0.23770E-01 -0.13428E-01 3744 0.128E-01 0.584E-01 DAV: 4 -0.132902209793E+04 -0.36654E-02 -0.39157E-02 3296 0.883E-02 0.681E-01 DAV: 5 -0.132901887991E+04 0.32180E-02 -0.18533E-02 3328 0.594E-02 0.181E-01 DAV: 6 -0.132901928228E+04 -0.40238E-03 -0.30979E-03 3104 0.378E-02 0.213E-01 DAV: 7 -0.132901929149E+04 -0.92052E-05 -0.20954E-03 2752 0.364E-02 0.186E-01 DAV: 8 -0.132901889772E+04 0.39377E-03 -0.74757E-04 2752 0.260E-02 0.372E-02 DAV: 9 -0.132901894579E+04 -0.48066E-04 -0.42156E-04 2432 0.125E-02 366 F= -.13493769E+04 E0= -.13493463E+04 d E =-.406872E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901271597E+04 0.61818E-02 -0.38997E+00 2816 0.254E+00 0.712E-01 DAV: 2 -0.132906934162E+04 -0.56626E-01 -0.42812E-01 3488 0.461E-01 0.416E+00 DAV: 3 -0.132901827311E+04 0.51069E-01 -0.38169E-01 3808 0.184E-01 0.759E-01 DAV: 4 -0.132902486009E+04 -0.65870E-02 -0.69119E-02 3424 0.118E-01 0.878E-01 DAV: 5 -0.132902006257E+04 0.47975E-02 -0.37333E-02 3424 0.772E-02 0.307E-01 DAV: 6 -0.132902059896E+04 -0.53640E-03 -0.95320E-03 3328 0.500E-02 0.314E-01 DAV: 7 -0.132902077870E+04 -0.17974E-03 -0.54910E-03 2944 0.512E-02 0.277E-01 DAV: 8 -0.132901991623E+04 0.86247E-03 -0.18139E-03 3072 0.395E-02 0.838E-02 DAV: 9 -0.132901997563E+04 -0.59398E-04 -0.14214E-03 2592 0.219E-02 0.809E-02 DAV: 10 -0.132901988515E+04 0.90477E-04 -0.39447E-04 2176 0.139E-02 367 F= -.13493788E+04 E0= -.13493486E+04 d E =-.594992E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901886219E+04 0.11134E-02 -0.21113E+00 2816 0.185E+00 0.424E-01 DAV: 2 -0.132902430522E+04 -0.54430E-02 -0.56615E-02 3232 0.289E-01 0.447E-01 DAV: 3 -0.132903121825E+04 -0.69130E-02 -0.95370E-02 3648 0.120E-01 0.127E+00 DAV: 4 -0.132902622691E+04 0.49913E-02 -0.55061E-02 3328 0.707E-02 0.593E-01 DAV: 5 -0.132902317976E+04 0.30471E-02 -0.59151E-03 3040 0.604E-02 0.200E-01 DAV: 6 -0.132902336717E+04 -0.18741E-03 -0.58007E-03 3296 0.403E-02 0.209E-01 DAV: 7 -0.132902320549E+04 0.16168E-03 -0.20909E-03 3104 0.340E-02 0.166E-01 DAV: 8 -0.132902313904E+04 0.66448E-04 -0.21904E-03 2944 0.253E-02 0.117E-01 DAV: 9 -0.132902302384E+04 0.11520E-03 -0.65974E-04 2560 0.146E-02 0.365E-02 DAV: 10 -0.132902301777E+04 0.60696E-05 -0.12112E-04 2080 0.855E-03 368 F= -.13493826E+04 E0= -.13493525E+04 d E =-.385053E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901573686E+04 0.72870E-02 -0.41132E+00 2816 0.258E+00 0.592E-01 DAV: 2 -0.132902601951E+04 -0.10283E-01 -0.11128E-01 3264 0.403E-01 0.592E-01 DAV: 3 -0.132903782059E+04 -0.11801E-01 -0.18209E-01 3648 0.162E-01 0.166E+00 DAV: 4 -0.132902928403E+04 0.85366E-02 -0.99110E-02 3488 0.942E-02 0.800E-01 DAV: 5 -0.132902418431E+04 0.50997E-02 -0.12515E-02 3200 0.793E-02 0.280E-01 DAV: 6 -0.132902444577E+04 -0.26146E-03 -0.83788E-03 3360 0.568E-02 0.302E-01 DAV: 7 -0.132902406543E+04 0.38035E-03 -0.35348E-03 3200 0.476E-02 0.205E-01 DAV: 8 -0.132902407847E+04 -0.13044E-04 -0.38952E-03 3168 0.360E-02 0.181E-01 DAV: 9 -0.132902378766E+04 0.29081E-03 -0.13283E-03 2560 0.206E-02 0.510E-02 DAV: 10 -0.132902377847E+04 0.91850E-05 -0.21653E-04 2240 0.118E-02 369 F= -.13493843E+04 E0= -.13493543E+04 d E =-.555722E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132902321209E+04 0.57557E-03 -0.26478E+00 2816 0.206E+00 0.505E-01 DAV: 2 -0.132904144522E+04 -0.18233E-01 -0.17081E-01 3264 0.342E-01 0.176E+00 DAV: 3 -0.132903064344E+04 0.10802E-01 -0.19060E-01 3744 0.133E-01 0.846E-01 DAV: 4 -0.132902914320E+04 0.15002E-02 -0.31117E-02 3328 0.742E-02 0.324E-01 DAV: 5 -0.132902878169E+04 0.36151E-03 -0.57853E-03 3424 0.541E-02 0.238E-01 DAV: 6 -0.132902933450E+04 -0.55280E-03 -0.30580E-03 2912 0.501E-02 0.301E-01 DAV: 7 -0.132902845892E+04 0.87557E-03 -0.25391E-03 2848 0.379E-02 0.144E-01 DAV: 8 -0.132902842227E+04 0.36655E-04 -0.97995E-04 2752 0.221E-02 370 F= -.13493891E+04 E0= -.13493596E+04 d E =-.476439E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901829463E+04 0.10164E-01 -0.64597E+00 2816 0.321E+00 0.796E-01 DAV: 2 -0.132906418601E+04 -0.45891E-01 -0.45303E-01 3296 0.539E-01 0.263E+00 DAV: 3 -0.132903638431E+04 0.27802E-01 -0.48129E-01 3744 0.211E-01 0.127E+00 DAV: 4 -0.132903303653E+04 0.33478E-02 -0.81222E-02 3424 0.119E-01 0.560E-01 DAV: 5 -0.132903133593E+04 0.17006E-02 -0.14548E-02 3552 0.840E-02 0.365E-01 DAV: 6 -0.132903131520E+04 0.20731E-04 -0.35146E-03 3392 0.579E-02 0.266E-01 DAV: 7 -0.132903205096E+04 -0.73576E-03 -0.31280E-03 3296 0.582E-02 0.270E-01 DAV: 8 -0.132903093144E+04 0.11195E-02 -0.23767E-03 2944 0.382E-02 0.109E-01 DAV: 9 -0.132903094457E+04 -0.13135E-04 -0.26081E-03 2784 0.188E-02 0.816E-02 DAV: 10 -0.132903085182E+04 0.92758E-04 -0.64128E-04 2240 0.101E-02 371 F= -.13493916E+04 E0= -.13493615E+04 d E =-.730954E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132903018224E+04 0.76233E-03 -0.29566E+00 2816 0.217E+00 0.499E-01 DAV: 2 -0.132904212781E+04 -0.11946E-01 -0.10185E-01 3264 0.343E-01 0.137E+00 DAV: 3 -0.132904011784E+04 0.20100E-02 -0.93270E-02 3840 0.110E-01 0.109E+00 DAV: 4 -0.132903741350E+04 0.27043E-02 -0.49925E-02 3424 0.875E-02 0.490E-01 DAV: 5 -0.132903628135E+04 0.11322E-02 -0.14151E-02 3424 0.564E-02 0.265E-01 DAV: 6 -0.132903639428E+04 -0.11293E-03 -0.56064E-03 3072 0.416E-02 0.214E-01 DAV: 7 -0.132903666440E+04 -0.27012E-03 -0.26566E-03 3264 0.416E-02 0.241E-01 DAV: 8 -0.132903616566E+04 0.49875E-03 -0.13968E-03 2752 0.343E-02 0.101E-01 DAV: 9 -0.132903605465E+04 0.11101E-03 -0.46471E-04 2496 0.163E-02 0.410E-02 DAV: 10 -0.132903604782E+04 0.68321E-05 -0.11347E-04 2080 0.762E-03 372 F= -.13493970E+04 E0= -.13493670E+04 d E =-.533697E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132902628161E+04 0.97730E-02 -0.62433E+00 2816 0.315E+00 0.722E-01 DAV: 2 -0.132904955760E+04 -0.23276E-01 -0.20467E-01 3232 0.494E-01 0.183E+00 DAV: 3 -0.132904798464E+04 0.15730E-02 -0.19244E-01 3840 0.158E-01 0.161E+00 DAV: 4 -0.132904220454E+04 0.57801E-02 -0.12872E-01 3488 0.128E-01 0.804E-01 DAV: 5 -0.132903877155E+04 0.34330E-02 -0.35231E-02 3424 0.817E-02 0.332E-01 DAV: 6 -0.132903892994E+04 -0.15838E-03 -0.10763E-02 3104 0.562E-02 0.270E-01 DAV: 7 -0.132903874517E+04 0.18477E-03 -0.49779E-03 3456 0.439E-02 0.159E-01 DAV: 8 -0.132903872166E+04 0.23507E-04 -0.17142E-03 3136 0.310E-02 0.115E-01 DAV: 9 -0.132903861338E+04 0.10829E-03 -0.37455E-04 2528 0.198E-02 0.729E-02 DAV: 10 -0.132903857081E+04 0.42561E-04 -0.14410E-04 2176 0.122E-02 373 F= -.13493996E+04 E0= -.13493699E+04 d E =-.799457E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132903831484E+04 0.29853E-03 -0.30009E+00 2816 0.218E+00 0.567E-01 DAV: 2 -0.132906290547E+04 -0.24591E-01 -0.14357E-01 3328 0.370E-01 0.256E+00 DAV: 3 -0.132904528694E+04 0.17619E-01 -0.12713E-01 3744 0.135E-01 0.851E-01 DAV: 4 -0.132904703803E+04 -0.17511E-02 -0.69203E-02 3360 0.937E-02 0.801E-01 DAV: 5 -0.132904402247E+04 0.30156E-02 -0.29728E-02 3488 0.633E-02 0.226E-01 DAV: 6 -0.132904457662E+04 -0.55415E-03 -0.48130E-03 3104 0.442E-02 0.228E-01 DAV: 7 -0.132904472479E+04 -0.14817E-03 -0.26052E-03 2848 0.453E-02 0.258E-01 DAV: 8 -0.132904420774E+04 0.51705E-03 -0.12681E-03 2848 0.387E-02 0.913E-02 DAV: 9 -0.132904409029E+04 0.11745E-03 -0.71261E-04 2496 0.189E-02 0.608E-02 DAV: 10 -0.132904405097E+04 0.39313E-04 -0.31237E-04 2176 0.864E-03 374 F= -.13494050E+04 E0= -.13493756E+04 d E =-.536530E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132903913524E+04 0.49551E-02 -0.37698E+00 2816 0.244E+00 0.635E-01 DAV: 2 -0.132907005640E+04 -0.30921E-01 -0.18067E-01 3328 0.415E-01 0.290E+00 DAV: 3 -0.132904764516E+04 0.22411E-01 -0.15652E-01 3744 0.151E-01 0.926E-01 DAV: 4 -0.132905026351E+04 -0.26184E-02 -0.85952E-02 3392 0.106E-01 0.914E-01 DAV: 5 -0.132904628777E+04 0.39757E-02 -0.38797E-02 3488 0.716E-02 0.254E-01 DAV: 6 -0.132904686093E+04 -0.57317E-03 -0.65234E-03 3136 0.473E-02 0.245E-01 DAV: 7 -0.132904730362E+04 -0.44269E-03 -0.35907E-03 2848 0.496E-02 0.313E-01 DAV: 8 -0.132904659340E+04 0.71022E-03 -0.18226E-03 2816 0.447E-02 0.110E-01 DAV: 9 -0.132904638699E+04 0.20641E-03 -0.12928E-03 2528 0.217E-02 0.763E-02 DAV: 10 -0.132904632718E+04 0.59818E-04 -0.36148E-04 2240 0.100E-02 375 F= -.13494071E+04 E0= -.13493780E+04 d E =-.746249E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132904553760E+04 0.84940E-03 -0.35722E+00 2816 0.235E+00 0.535E-01 DAV: 2 -0.132905477334E+04 -0.92357E-02 -0.10032E-01 3200 0.359E-01 0.682E-01 DAV: 3 -0.132906475070E+04 -0.99774E-02 -0.15959E-01 3808 0.132E-01 0.179E+00 DAV: 4 -0.132905439689E+04 0.10354E-01 -0.66289E-02 3488 0.886E-02 0.661E-01 DAV: 5 -0.132905248025E+04 0.19166E-02 -0.80612E-03 3392 0.620E-02 0.205E-01 DAV: 6 -0.132905316653E+04 -0.68628E-03 -0.72437E-03 3072 0.457E-02 0.238E-01 DAV: 7 -0.132905299704E+04 0.16949E-03 -0.31967E-03 2976 0.439E-02 0.203E-01 DAV: 8 -0.132905270087E+04 0.29617E-03 -0.16769E-03 2784 0.351E-02 0.996E-02 DAV: 9 -0.132905252393E+04 0.17694E-03 -0.81798E-04 2496 0.187E-02 0.422E-02 DAV: 10 -0.132905250908E+04 0.14853E-04 -0.16253E-04 2080 0.908E-03 376 F= -.13494130E+04 E0= -.13493836E+04 d E =-.585827E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132904122533E+04 0.11299E-01 -0.78531E+00 2816 0.349E+00 0.790E-01 DAV: 2 -0.132906083268E+04 -0.19607E-01 -0.21524E-01 3200 0.531E-01 0.930E-01 DAV: 3 -0.132908274012E+04 -0.21907E-01 -0.35121E-01 3808 0.192E-01 0.257E+00 DAV: 4 -0.132906009232E+04 0.22648E-01 -0.14496E-01 3584 0.127E-01 0.913E-01 DAV: 5 -0.132905652242E+04 0.35699E-02 -0.17278E-02 3520 0.871E-02 0.306E-01 DAV: 6 -0.132905779403E+04 -0.12716E-02 -0.15945E-02 3168 0.663E-02 0.334E-01 DAV: 7 -0.132905758815E+04 0.20588E-03 -0.95681E-03 3168 0.635E-02 0.311E-01 DAV: 8 -0.132905688217E+04 0.70598E-03 -0.82646E-03 3008 0.510E-02 0.146E-01 DAV: 9 -0.132905652340E+04 0.35877E-03 -0.12777E-03 2688 0.261E-02 0.669E-02 DAV: 10 -0.132905648823E+04 0.35170E-04 -0.32607E-04 2464 0.134E-02 377 F= -.13494164E+04 E0= -.13493872E+04 d E =-.926316E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132905680510E+04 -0.28170E-03 -0.28718E+00 2816 0.211E+00 0.458E-01 DAV: 2 -0.132906626272E+04 -0.94576E-02 -0.82356E-02 3264 0.325E-01 0.957E-01 DAV: 3 -0.132906784179E+04 -0.15791E-02 -0.83660E-02 3840 0.108E-01 0.126E+00 DAV: 4 -0.132906249677E+04 0.53450E-02 -0.38084E-02 3392 0.702E-02 0.227E-01 DAV: 5 -0.132906283049E+04 -0.33372E-03 -0.58412E-03 3328 0.437E-02 0.248E-01 DAV: 6 -0.132906279607E+04 0.34418E-04 -0.45825E-03 3104 0.401E-02 0.201E-01 DAV: 7 -0.132906266654E+04 0.12953E-03 -0.22361E-03 3200 0.327E-02 0.123E-01 DAV: 8 -0.132906266406E+04 0.24854E-05 -0.75434E-04 2688 0.217E-02 378 F= -.13494224E+04 E0= -.13493942E+04 d E =-.608987E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132901878316E+04 0.43883E-01 -0.25817E+01 2816 0.632E+00 0.138E+00 DAV: 2 -0.132910070867E+04 -0.81926E-01 -0.80842E-01 3232 0.978E-01 0.240E+00 DAV: 3 -0.132912356324E+04 -0.22855E-01 -0.10087E+00 3840 0.338E-01 0.372E+00 DAV: 4 -0.132907184606E+04 0.51717E-01 -0.30986E-01 3648 0.211E-01 0.725E-01 DAV: 5 -0.132907408035E+04 -0.22343E-02 -0.52795E-02 3424 0.148E-01 0.865E-01 DAV: 6 -0.132907432262E+04 -0.24227E-03 -0.99750E-02 3456 0.139E-01 0.623E-01 DAV: 7 -0.132907104123E+04 0.32814E-02 -0.20689E-02 3488 0.969E-02 0.312E-01 DAV: 8 -0.132907032917E+04 0.71206E-03 -0.18409E-02 3360 0.610E-02 0.211E-01 DAV: 9 -0.132907000369E+04 0.32548E-03 -0.47523E-03 3072 0.367E-02 0.146E-01 DAV: 10 -0.132906989592E+04 0.10776E-03 -0.92393E-04 2848 0.285E-02 0.116E-01 DAV: 11 -0.132906980582E+04 0.90106E-04 -0.82849E-04 2624 0.164E-02 379 F= -.13494291E+04 E0= -.13493996E+04 d E =-.127405E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132906645153E+04 0.34444E-02 -0.54883E+00 2816 0.291E+00 0.644E-01 DAV: 2 -0.132908076715E+04 -0.14316E-01 -0.15207E-01 3136 0.442E-01 0.927E-01 DAV: 3 -0.132909306591E+04 -0.12299E-01 -0.21178E-01 3744 0.146E-01 0.202E+00 DAV: 4 -0.132907749472E+04 0.15571E-01 -0.12502E-01 3552 0.113E-01 0.369E-01 DAV: 5 -0.132907777736E+04 -0.28264E-03 -0.14662E-02 3488 0.621E-02 0.244E-01 DAV: 6 -0.132907819930E+04 -0.42194E-03 -0.73038E-03 3296 0.562E-02 0.363E-01 DAV: 7 -0.132907739959E+04 0.79971E-03 -0.47283E-03 3392 0.417E-02 0.119E-01 DAV: 8 -0.132907748840E+04 -0.88819E-04 -0.15128E-03 2880 0.212E-02 0.821E-02 DAV: 9 -0.132907750925E+04 -0.20841E-04 -0.53853E-04 2464 0.187E-02 380 F= -.13494359E+04 E0= -.13494075E+04 d E =-.679136E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132907123701E+04 0.62514E-02 -0.46758E+00 2816 0.268E+00 0.595E-01 DAV: 2 -0.132908315783E+04 -0.11921E-01 -0.12790E-01 3168 0.407E-01 0.774E-01 DAV: 3 -0.132909507288E+04 -0.11915E-01 -0.19370E-01 3744 0.137E-01 0.193E+00 DAV: 4 -0.132908098745E+04 0.14085E-01 -0.11841E-01 3424 0.107E-01 0.437E-01 DAV: 5 -0.132908144577E+04 -0.45832E-03 -0.27182E-02 3136 0.525E-02 0.309E-01 DAV: 6 -0.132908210697E+04 -0.66119E-03 -0.67069E-03 3200 0.563E-02 0.385E-01 DAV: 7 -0.132908131052E+04 0.79645E-03 -0.74939E-03 3104 0.595E-02 0.222E-01 DAV: 8 -0.132908065070E+04 0.65982E-03 -0.20897E-03 2944 0.399E-02 0.134E-01 DAV: 9 -0.132908067001E+04 -0.19312E-04 -0.78564E-04 2944 0.214E-02 381 F= -.13494382E+04 E0= -.13494094E+04 d E =-.905833E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132908408433E+04 -0.34336E-02 -0.19980E+00 2816 0.175E+00 0.544E-01 DAV: 2 -0.132909728936E+04 -0.13205E-01 -0.65524E-02 3296 0.301E-01 0.162E+00 DAV: 3 -0.132909155782E+04 0.57315E-02 -0.53255E-02 3712 0.131E-01 0.107E+00 DAV: 4 -0.132909321454E+04 -0.16567E-02 -0.11123E-01 3328 0.974E-02 0.104E+00 DAV: 5 -0.132908796422E+04 0.52503E-02 -0.48010E-02 3424 0.763E-02 0.291E-01 DAV: 6 -0.132908830100E+04 -0.33678E-03 -0.10677E-02 3200 0.399E-02 0.212E-01 DAV: 7 -0.132908806768E+04 0.23333E-03 -0.22205E-03 2880 0.381E-02 0.172E-01 DAV: 8 -0.132908809070E+04 -0.23020E-04 -0.19236E-03 2784 0.342E-02 0.128E-01 DAV: 9 -0.132908777729E+04 0.31340E-03 -0.11327E-03 2368 0.231E-02 0.417E-02 DAV: 10 -0.132908776141E+04 0.15882E-04 -0.17539E-04 2240 0.955E-03 382 F= -.13494443E+04 E0= -.13494151E+04 d E =-.614553E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132908632135E+04 0.14559E-02 -0.31293E+00 2816 0.218E+00 0.670E-01 DAV: 2 -0.132910544628E+04 -0.19125E-01 -0.10125E-01 3328 0.369E-01 0.199E+00 DAV: 3 -0.132909776666E+04 0.76796E-02 -0.85056E-02 3776 0.152E-01 0.130E+00 DAV: 4 -0.132910019123E+04 -0.24246E-02 -0.16891E-01 3360 0.120E-01 0.128E+00 DAV: 5 -0.132909222321E+04 0.79680E-02 -0.71026E-02 3488 0.903E-02 0.322E-01 DAV: 6 -0.132909288140E+04 -0.65819E-03 -0.15255E-02 3200 0.468E-02 0.249E-01 DAV: 7 -0.132909273781E+04 0.14359E-03 -0.34912E-03 2976 0.463E-02 0.238E-01 DAV: 8 -0.132909253245E+04 0.20536E-03 -0.31595E-03 2880 0.422E-02 0.142E-01 DAV: 9 -0.132909214179E+04 0.39066E-03 -0.14589E-03 2560 0.264E-02 0.593E-02 DAV: 10 -0.132909210736E+04 0.34427E-04 -0.29590E-04 2400 0.112E-02 383 F= -.13494474E+04 E0= -.13494185E+04 d E =-.929233E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132909415689E+04 -0.20151E-02 -0.27743E+00 2816 0.208E+00 0.528E-01 DAV: 2 -0.132910331559E+04 -0.91587E-02 -0.10378E-01 3200 0.328E-01 0.888E-01 DAV: 3 -0.132910712973E+04 -0.38141E-02 -0.14691E-01 3712 0.127E-01 0.140E+00 DAV: 4 -0.132910229646E+04 0.48333E-02 -0.53163E-02 3456 0.852E-02 0.784E-01 DAV: 5 -0.132909957609E+04 0.27204E-02 -0.72275E-03 3584 0.666E-02 0.218E-01 DAV: 6 -0.132910073228E+04 -0.11562E-02 -0.65204E-03 3072 0.519E-02 0.279E-01 DAV: 7 -0.132909954920E+04 0.11831E-02 -0.14379E-03 2880 0.420E-02 0.845E-02 DAV: 8 -0.132909965311E+04 -0.10391E-03 -0.14038E-03 2880 0.232E-02 0.804E-02 DAV: 9 -0.132909951115E+04 0.14196E-03 -0.61050E-04 2368 0.155E-02 0.369E-02 DAV: 10 -0.132909949942E+04 0.11732E-04 -0.13196E-04 2016 0.733E-03 384 F= -.13494544E+04 E0= -.13494255E+04 d E =-.695023E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132909592582E+04 0.35853E-02 -0.35527E+00 2816 0.235E+00 0.597E-01 DAV: 2 -0.132910749633E+04 -0.11571E-01 -0.13115E-01 3200 0.370E-01 0.100E+00 DAV: 3 -0.132911270596E+04 -0.52096E-02 -0.18748E-01 3744 0.141E-01 0.159E+00 DAV: 4 -0.132910617983E+04 0.65261E-02 -0.64626E-02 3488 0.961E-02 0.859E-01 DAV: 5 -0.132910289787E+04 0.32820E-02 -0.93744E-03 3680 0.742E-02 0.247E-01 DAV: 6 -0.132910438366E+04 -0.14858E-02 -0.75572E-03 3072 0.601E-02 0.307E-01 DAV: 7 -0.132910283291E+04 0.15508E-02 -0.16286E-03 2880 0.462E-02 0.988E-02 DAV: 8 -0.132910290658E+04 -0.73667E-04 -0.14091E-03 3104 0.237E-02 0.759E-02 DAV: 9 -0.132910279769E+04 0.10888E-03 -0.72532E-04 2464 0.156E-02 0.424E-02 DAV: 10 -0.132910277524E+04 0.22449E-04 -0.18179E-04 2016 0.779E-03 385 F= -.13494572E+04 E0= -.13494283E+04 d E =-.971849E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132910477005E+04 -0.19724E-02 -0.23618E+00 2816 0.190E+00 0.496E-01 DAV: 2 -0.132911424368E+04 -0.94736E-02 -0.68767E-02 3296 0.303E-01 0.101E+00 DAV: 3 -0.132911481822E+04 -0.57454E-03 -0.73540E-02 3712 0.112E-01 0.128E+00 DAV: 4 -0.132911249054E+04 0.23277E-02 -0.87928E-02 3360 0.880E-02 0.740E-01 DAV: 5 -0.132911015556E+04 0.23350E-02 -0.41110E-02 3456 0.750E-02 0.263E-01 DAV: 6 -0.132910949478E+04 0.66078E-03 -0.38183E-03 2976 0.459E-02 0.182E-01 DAV: 7 -0.132910959790E+04 -0.10312E-03 -0.41860E-03 3168 0.332E-02 0.169E-01 DAV: 8 -0.132910935526E+04 0.24264E-03 -0.18914E-03 3008 0.219E-02 0.557E-02 DAV: 9 -0.132910937987E+04 -0.24606E-04 -0.51126E-04 2432 0.130E-02 386 F= -.13494634E+04 E0= -.13494344E+04 d E =-.621671E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132910381090E+04 0.55444E-02 -0.50591E+00 2816 0.278E+00 0.727E-01 DAV: 2 -0.132912369976E+04 -0.19889E-01 -0.14719E-01 3264 0.444E-01 0.138E+00 DAV: 3 -0.132912648511E+04 -0.27854E-02 -0.17075E-01 3744 0.167E-01 0.196E+00 DAV: 4 -0.132912072569E+04 0.57594E-02 -0.21495E-01 3456 0.132E-01 0.109E+00 DAV: 5 -0.132911549275E+04 0.52329E-02 -0.13574E-01 3360 0.111E-01 0.375E-01 DAV: 6 -0.132911412798E+04 0.13648E-02 -0.10638E-02 3168 0.640E-02 0.294E-01 DAV: 7 -0.132911423261E+04 -0.10463E-03 -0.16697E-02 3264 0.482E-02 0.205E-01 DAV: 8 -0.132911358240E+04 0.65021E-03 -0.30716E-03 3264 0.293E-02 0.851E-02 DAV: 9 -0.132911357529E+04 0.71052E-05 -0.82751E-04 2848 0.166E-02 387 F= -.13494670E+04 E0= -.13494379E+04 d E =-.985268E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132911655432E+04 -0.29719E-02 -0.16166E+00 2816 0.154E+00 0.429E-01 DAV: 2 -0.132912303539E+04 -0.64811E-02 -0.65852E-02 3328 0.250E-01 0.790E-01 DAV: 3 -0.132912231283E+04 0.72256E-03 -0.80727E-02 3744 0.982E-02 0.823E-01 DAV: 4 -0.132912315061E+04 -0.83778E-03 -0.44602E-02 3232 0.732E-02 0.109E+00 DAV: 5 -0.132911941421E+04 0.37364E-02 -0.99388E-03 3360 0.543E-02 0.169E-01 DAV: 6 -0.132912057188E+04 -0.11577E-02 -0.46038E-03 2976 0.426E-02 0.356E-01 DAV: 7 -0.132911973132E+04 0.84057E-03 -0.16638E-03 2816 0.408E-02 0.115E-01 DAV: 8 -0.132911961183E+04 0.11949E-03 -0.19984E-03 2560 0.245E-02 0.701E-02 DAV: 9 -0.132911953803E+04 0.73796E-04 -0.54348E-04 2304 0.128E-02 388 F= -.13494724E+04 E0= -.13494433E+04 d E =-.537181E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132911897767E+04 0.63416E-03 -0.18008E+00 2816 0.163E+00 0.461E-01 DAV: 2 -0.132912632092E+04 -0.73433E-02 -0.83636E-02 3328 0.267E-01 0.909E-01 DAV: 3 -0.132912532474E+04 0.99618E-03 -0.10488E-01 3808 0.999E-02 0.904E-01 DAV: 4 -0.132912598825E+04 -0.66350E-03 -0.47387E-02 3232 0.774E-02 0.110E+00 DAV: 5 -0.132912221263E+04 0.37756E-02 -0.94951E-03 3392 0.578E-02 0.184E-01 DAV: 6 -0.132912345383E+04 -0.12412E-02 -0.38574E-03 3072 0.472E-02 0.378E-01 DAV: 7 -0.132912240473E+04 0.10491E-02 -0.23223E-03 2880 0.436E-02 0.102E-01 DAV: 8 -0.132912234548E+04 0.59253E-04 -0.19588E-03 2656 0.224E-02 0.829E-02 DAV: 9 -0.132912224624E+04 0.99240E-04 -0.65937E-04 2336 0.122E-02 389 F= -.13494745E+04 E0= -.13494453E+04 d E =-.746129E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132912590854E+04 -0.35631E-02 -0.16784E+00 2816 0.160E+00 0.464E-01 DAV: 2 -0.132913285083E+04 -0.69423E-02 -0.47286E-02 3232 0.251E-01 0.102E+00 DAV: 3 -0.132913301274E+04 -0.16191E-03 -0.44135E-02 3776 0.101E-01 0.104E+00 DAV: 4 -0.132913305920E+04 -0.46460E-04 -0.79633E-02 3328 0.854E-02 0.866E-01 DAV: 5 -0.132912885606E+04 0.42031E-02 -0.29532E-02 3392 0.618E-02 0.145E-01 DAV: 6 -0.132912938155E+04 -0.52549E-03 -0.53812E-03 2944 0.335E-02 0.170E-01 DAV: 7 -0.132912932133E+04 0.60227E-04 -0.23293E-03 2912 0.288E-02 0.165E-01 DAV: 8 -0.132912908671E+04 0.23462E-03 -0.59969E-04 2272 0.240E-02 0.737E-02 DAV: 9 -0.132912903252E+04 0.54188E-04 -0.46412E-04 2304 0.140E-02 390 F= -.13494806E+04 E0= -.13494510E+04 d E =-.615836E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132912345813E+04 0.56286E-02 -0.58948E+00 2816 0.301E+00 0.868E-01 DAV: 2 -0.132914862226E+04 -0.25164E-01 -0.16646E-01 3296 0.470E-01 0.206E+00 DAV: 3 -0.132914626885E+04 0.23534E-02 -0.13740E-01 3744 0.190E-01 0.171E+00 DAV: 4 -0.132914984904E+04 -0.35802E-02 -0.28564E-01 3520 0.160E-01 0.170E+00 DAV: 5 -0.132913428838E+04 0.15561E-01 -0.11746E-01 3488 0.111E-01 0.307E-01 DAV: 6 -0.132913639822E+04 -0.21098E-02 -0.25678E-02 3072 0.824E-02 0.407E-01 DAV: 7 -0.132913613590E+04 0.26232E-03 -0.30137E-02 3200 0.743E-02 0.376E-01 DAV: 8 -0.132913436293E+04 0.17730E-02 -0.62085E-03 3136 0.459E-02 0.112E-01 DAV: 9 -0.132913435271E+04 0.10225E-04 -0.31933E-03 2752 0.231E-02 0.860E-02 DAV: 10 -0.132913426633E+04 0.86379E-04 -0.55510E-04 2400 0.124E-02 391 F= -.13494847E+04 E0= -.13494551E+04 d E =-.102516E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132913687370E+04 -0.25210E-02 -0.18152E+00 2816 0.164E+00 0.440E-01 DAV: 2 -0.132914181312E+04 -0.49394E-02 -0.54236E-02 3296 0.251E-01 0.490E-01 DAV: 3 -0.132914420917E+04 -0.23961E-02 -0.68630E-02 3936 0.970E-02 0.927E-01 DAV: 4 -0.132914264548E+04 0.15637E-02 -0.50770E-02 3456 0.678E-02 0.765E-01 DAV: 5 -0.132914037242E+04 0.22731E-02 -0.71816E-03 3296 0.537E-02 0.158E-01 DAV: 6 -0.132914144409E+04 -0.10717E-02 -0.35515E-03 2848 0.442E-02 0.349E-01 DAV: 7 -0.132914051317E+04 0.93092E-03 -0.35478E-03 2944 0.403E-02 0.175E-01 DAV: 8 -0.132914032252E+04 0.19065E-03 -0.12472E-03 3072 0.218E-02 0.410E-02 DAV: 9 -0.132914032765E+04 -0.51275E-05 -0.25346E-04 2336 0.104E-02 392 F= -.13494901E+04 E0= -.13494610E+04 d E =-.540092E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132913642330E+04 0.38992E-02 -0.44602E+00 2816 0.257E+00 0.685E-01 DAV: 2 -0.132914839057E+04 -0.11967E-01 -0.13588E-01 3296 0.392E-01 0.820E-01 DAV: 3 -0.132915892787E+04 -0.10537E-01 -0.22613E-01 3936 0.150E-01 0.186E+00 DAV: 4 -0.132914884795E+04 0.10080E-01 -0.12555E-01 3584 0.109E-01 0.952E-01 DAV: 5 -0.132914473260E+04 0.41153E-02 -0.11059E-02 3360 0.755E-02 0.211E-01 DAV: 6 -0.132914657470E+04 -0.18421E-02 -0.73257E-03 3136 0.616E-02 0.344E-01 DAV: 7 -0.132914499673E+04 0.15780E-02 -0.32526E-03 3072 0.522E-02 0.131E-01 DAV: 8 -0.132914499579E+04 0.94024E-06 -0.12003E-03 2912 0.300E-02 0.906E-02 DAV: 9 -0.132914486337E+04 0.13242E-03 -0.45063E-04 2656 0.172E-02 0.441E-02 DAV: 10 -0.132914485143E+04 0.11934E-04 -0.33196E-04 2144 0.872E-03 393 F= -.13494937E+04 E0= -.13494643E+04 d E =-.892374E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132914891668E+04 -0.40533E-02 -0.21524E+00 2816 0.177E+00 0.576E-01 DAV: 2 -0.132917954530E+04 -0.30629E-01 -0.15244E-01 3424 0.334E-01 0.228E+00 DAV: 3 -0.132915589943E+04 0.23646E-01 -0.21028E-01 3584 0.153E-01 0.967E-01 DAV: 4 -0.132915480840E+04 0.10910E-02 -0.67413E-02 3264 0.935E-02 0.621E-01 DAV: 5 -0.132915474545E+04 0.62950E-04 -0.15535E-02 3136 0.853E-02 0.365E-01 DAV: 6 -0.132915267548E+04 0.20700E-02 -0.41282E-03 3264 0.569E-02 0.191E-01 DAV: 7 -0.132915270189E+04 -0.26413E-04 -0.19377E-03 3232 0.328E-02 0.111E-01 DAV: 8 -0.132915265413E+04 0.47761E-04 -0.19868E-03 2624 0.209E-02 0.837E-02 DAV: 9 -0.132915265021E+04 0.39185E-05 -0.15001E-03 2432 0.158E-02 0.677E-02 DAV: 10 -0.132915258230E+04 0.67912E-04 -0.33366E-04 2080 0.105E-02 394 F= -.13495005E+04 E0= -.13494710E+04 d E =-.686111E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132914939599E+04 0.32542E-02 -0.47872E+00 2816 0.264E+00 0.860E-01 DAV: 2 -0.132921259431E+04 -0.63198E-01 -0.33606E-01 3424 0.498E-01 0.305E+00 DAV: 3 -0.132916673604E+04 0.45858E-01 -0.48472E-01 3680 0.223E-01 0.152E+00 DAV: 4 -0.132916036271E+04 0.63733E-02 -0.14551E-01 3360 0.132E-01 0.765E-01 DAV: 5 -0.132916210450E+04 -0.17418E-02 -0.65816E-02 3200 0.121E-01 0.479E-01 DAV: 6 -0.132915792490E+04 0.41796E-02 -0.11349E-02 3360 0.827E-02 0.327E-01 DAV: 7 -0.132915788164E+04 0.43265E-04 -0.40366E-03 3392 0.504E-02 0.185E-01 DAV: 8 -0.132915783358E+04 0.48058E-04 -0.45288E-03 3104 0.342E-02 0.152E-01 DAV: 9 -0.132915762725E+04 0.20633E-03 -0.31322E-03 2592 0.256E-02 0.881E-02 DAV: 10 -0.132915754429E+04 0.82963E-04 -0.47113E-04 2304 0.139E-02 395 F= -.13495042E+04 E0= -.13494745E+04 d E =-.105637E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132916162411E+04 -0.39969E-02 -0.21177E+00 2880 0.179E+00 0.464E-01 DAV: 2 -0.132917356091E+04 -0.11937E-01 -0.71520E-02 3360 0.291E-01 0.131E+00 DAV: 3 -0.132916878661E+04 0.47743E-02 -0.79310E-02 3680 0.112E-01 0.102E+00 DAV: 4 -0.132916950940E+04 -0.72279E-03 -0.84634E-02 3328 0.864E-02 0.813E-01 DAV: 5 -0.132916640759E+04 0.31018E-02 -0.48512E-02 3328 0.799E-02 0.273E-01 DAV: 6 -0.132916551696E+04 0.89064E-03 -0.35504E-03 3008 0.456E-02 0.172E-01 DAV: 7 -0.132916550247E+04 0.14484E-04 -0.20882E-03 3232 0.311E-02 0.102E-01 DAV: 8 -0.132916546048E+04 0.41996E-04 -0.13463E-03 2848 0.189E-02 0.611E-02 DAV: 9 -0.132916546411E+04 -0.36347E-05 -0.69121E-04 2208 0.115E-02 396 F= -.13495110E+04 E0= -.13494808E+04 d E =-.679237E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132916072996E+04 0.47305E-02 -0.60275E+00 2816 0.302E+00 0.791E-01 DAV: 2 -0.132919393965E+04 -0.33210E-01 -0.20852E-01 3360 0.492E-01 0.206E+00 DAV: 3 -0.132918213404E+04 0.11806E-01 -0.25387E-01 3776 0.192E-01 0.175E+00 DAV: 4 -0.132918026506E+04 0.18690E-02 -0.23594E-01 3456 0.135E-01 0.125E+00 DAV: 5 -0.132917443432E+04 0.58307E-02 -0.15736E-01 3392 0.126E-01 0.418E-01 DAV: 6 -0.132917190859E+04 0.25257E-02 -0.11742E-02 3200 0.769E-02 0.327E-01 DAV: 7 -0.132917182893E+04 0.79651E-04 -0.73986E-03 3360 0.537E-02 0.169E-01 DAV: 8 -0.132917160641E+04 0.22252E-03 -0.44456E-03 3296 0.342E-02 0.112E-01 DAV: 9 -0.132917158944E+04 0.16973E-04 -0.25043E-03 2624 0.240E-02 0.882E-02 DAV: 10 -0.132917146568E+04 0.12376E-03 -0.48936E-04 2240 0.135E-02 0.278E-02 DAV: 11 -0.132917146293E+04 0.27492E-05 -0.98457E-05 2176 0.688E-03 397 F= -.13495152E+04 E0= -.13494848E+04 d E =-.109402E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.132917452189E+04 -0.30562E-02 -0.24191E+00 2816 0.188E+00 0.614E-01 DAV: 2 -0.132919783192E+04 -0.23310E-01 -0.11208E-01 3520 0.328E-01 0.261E+00 DAV: 3 -0.132918178839E+04 0.16044E-01 -0.12180E-01 3744 0.140E-01 0.116E+00 DAV: 4 -0.132918321722E+04 -0.14288E-02 -0.12550E-01 3328 0.102E-01 0.997E-01 DAV: 5 -0.132917895041E+04 0.42668E-02 -0.37065E-02 3456 0.764E-02 0.274E-01 DAV: 6 -0.132918008742E+04 -0.11370E-02 -0.44934E-03 3072 0.600E-02 0.285E-01 DAV: 7 -0.132917877792E+04 0.13095E-02 -0.18764E-03 2848 0.432E-02 0.110E-01 DAV: 8 -0.132917876308E+04 0.14834E-04 -0.12214E-03 3136 0.234E-02 0.775E-02 DAV: 9 -0.132917873227E+04 0.30809E-04 -0.68214E-04 2592 0.116E-02 398 F= -.13495212E+04 E0= -.13494913E+04 d E =-.604328E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132917852142E+04 0.24166E-03 -0.13744E+00 2816 0.142E+00 0.466E-01 DAV: 2 -0.132919247978E+04 -0.13958E-01 -0.63698E-02 3520 0.250E-01 0.197E+00 DAV: 3 -0.132918275842E+04 0.97214E-02 -0.73208E-02 3776 0.111E-01 0.883E-01 DAV: 4 -0.132918305675E+04 -0.29833E-03 -0.68876E-02 3296 0.778E-02 0.688E-01 DAV: 5 -0.132918101773E+04 0.20390E-02 -0.18817E-02 3328 0.540E-02 0.180E-01 DAV: 6 -0.132918196554E+04 -0.94781E-03 -0.26202E-03 2912 0.483E-02 0.250E-01 DAV: 7 -0.132918107478E+04 0.89076E-03 -0.20287E-03 2848 0.337E-02 0.119E-01 DAV: 8 -0.132918099389E+04 0.80895E-04 -0.32620E-03 2720 0.180E-02 0.854E-02 DAV: 9 -0.132918090828E+04 0.85603E-04 -0.51006E-04 2336 0.117E-02 399 F= -.13495225E+04 E0= -.13494928E+04 d E =-.730307E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132918408464E+04 -0.30908E-02 -0.23428E+00 2816 0.185E+00 0.522E-01 DAV: 2 -0.132919336196E+04 -0.92773E-02 -0.66669E-02 3328 0.297E-01 0.120E+00 DAV: 3 -0.132919296852E+04 0.39344E-03 -0.45665E-02 3776 0.110E-01 0.113E+00 DAV: 4 -0.132919271396E+04 0.25455E-03 -0.10270E-01 3328 0.905E-02 0.985E-01 DAV: 5 -0.132918856001E+04 0.41540E-02 -0.40438E-02 3424 0.698E-02 0.251E-01 DAV: 6 -0.132918961784E+04 -0.10578E-02 -0.36185E-03 3040 0.550E-02 0.260E-01 DAV: 7 -0.132918849313E+04 0.11247E-02 -0.13991E-03 2880 0.382E-02 0.954E-02 DAV: 8 -0.132918845983E+04 0.33303E-04 -0.84083E-04 2784 0.203E-02 400 F= -.13495283E+04 E0= -.13494989E+04 d E =-.587085E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132918805309E+04 0.44004E-03 -0.21434E+00 2816 0.177E+00 0.506E-01 DAV: 2 -0.132919777851E+04 -0.97254E-02 -0.61170E-02 3328 0.288E-01 0.113E+00 DAV: 3 -0.132919583195E+04 0.19466E-02 -0.31747E-02 3680 0.126E-01 0.884E-01 DAV: 4 -0.132919851108E+04 -0.26791E-02 -0.87070E-02 3424 0.898E-02 0.111E+00 DAV: 5 -0.132919228434E+04 0.62267E-02 -0.49438E-02 3392 0.754E-02 0.308E-01 DAV: 6 -0.132919258999E+04 -0.30565E-03 -0.16018E-02 2880 0.363E-02 0.207E-01 DAV: 7 -0.132919262167E+04 -0.31679E-04 -0.22855E-03 2880 0.407E-02 0.207E-01 DAV: 8 -0.132919206472E+04 0.55695E-03 -0.16656E-03 2752 0.287E-02 0.104E-01 DAV: 9 -0.132919205371E+04 0.11012E-04 -0.56784E-04 2400 0.190E-02 401 F= -.13495303E+04 E0= -.13495003E+04 d E =-.785391E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132919589398E+04 -0.38293E-02 -0.19103E+00 2816 0.167E+00 0.535E-01 DAV: 2 -0.132922129679E+04 -0.25403E-01 -0.13465E-01 3424 0.310E-01 0.214E+00 DAV: 3 -0.132920167693E+04 0.19620E-01 -0.18435E-01 3680 0.144E-01 0.879E-01 DAV: 4 -0.132920215047E+04 -0.47354E-03 -0.66090E-02 3328 0.902E-02 0.703E-01 DAV: 5 -0.132920109551E+04 0.10550E-02 -0.26153E-02 3232 0.851E-02 0.353E-01 DAV: 6 -0.132919925484E+04 0.18407E-02 -0.35813E-03 3168 0.536E-02 0.169E-01 DAV: 7 -0.132919927903E+04 -0.24192E-04 -0.15872E-03 3136 0.296E-02 0.880E-02 DAV: 8 -0.132919930050E+04 -0.21464E-04 -0.19163E-03 2432 0.198E-02 0.892E-02 DAV: 9 -0.132919922794E+04 0.72554E-04 -0.13564E-03 2400 0.152E-02 0.540E-02 DAV: 10 -0.132919919436E+04 0.33583E-04 -0.20999E-04 2048 0.863E-03 402 F= -.13495361E+04 E0= -.13495061E+04 d E =-.576987E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132919800977E+04 0.12182E-02 -0.36931E+00 2816 0.233E+00 0.747E-01 DAV: 2 -0.132924627163E+04 -0.48262E-01 -0.27474E-01 3456 0.431E-01 0.281E+00 DAV: 3 -0.132920999308E+04 0.36279E-01 -0.38341E-01 3712 0.195E-01 0.125E+00 DAV: 4 -0.132920855571E+04 0.14374E-02 -0.11816E-01 3488 0.118E-01 0.888E-01 DAV: 5 -0.132920819419E+04 0.36152E-03 -0.71061E-02 3232 0.116E-01 0.467E-01 DAV: 6 -0.132920465485E+04 0.35393E-02 -0.90156E-03 3360 0.744E-02 0.274E-01 DAV: 7 -0.132920492916E+04 -0.27431E-03 -0.67871E-03 3296 0.472E-02 0.166E-01 DAV: 8 -0.132920449448E+04 0.43468E-03 -0.45009E-03 2944 0.323E-02 0.113E-01 DAV: 9 -0.132920442437E+04 0.70106E-04 -0.13716E-03 2464 0.235E-02 0.864E-02 DAV: 10 -0.132920436542E+04 0.58950E-04 -0.43432E-04 2272 0.121E-02 403 F= -.13495393E+04 E0= -.13495089E+04 d E =-.900627E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132920776984E+04 -0.33455E-02 -0.10292E+00 2816 0.123E+00 0.460E-01 DAV: 2 -0.132922570460E+04 -0.17935E-01 -0.93546E-02 3328 0.242E-01 0.190E+00 DAV: 3 -0.132921101067E+04 0.14694E-01 -0.12896E-01 3520 0.118E-01 0.702E-01 DAV: 4 -0.132921304688E+04 -0.20362E-02 -0.57544E-02 3328 0.837E-02 0.740E-01 DAV: 5 -0.132921083332E+04 0.22136E-02 -0.40400E-02 3136 0.783E-02 0.317E-01 DAV: 6 -0.132920965642E+04 0.11769E-02 -0.31153E-03 3168 0.465E-02 0.185E-01 DAV: 7 -0.132920965310E+04 0.33146E-05 -0.16494E-03 3232 0.270E-02 0.943E-02 DAV: 8 -0.132920964331E+04 0.97948E-05 -0.18515E-03 2720 0.169E-02 0.815E-02 DAV: 9 -0.132920961031E+04 0.32997E-04 -0.10898E-03 2272 0.136E-02 0.515E-02 DAV: 10 -0.132920956807E+04 0.42241E-04 -0.17311E-04 2048 0.819E-03 404 F= -.13495437E+04 E0= -.13495133E+04 d E =-.434284E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132921016164E+04 -0.55133E-03 -0.53945E-01 2816 0.895E-01 0.332E-01 DAV: 2 -0.132921974802E+04 -0.95864E-02 -0.49782E-02 3360 0.175E-01 0.145E+00 DAV: 3 -0.132921168374E+04 0.80643E-02 -0.65883E-02 3456 0.847E-02 0.483E-01 DAV: 4 -0.132921314192E+04 -0.14582E-02 -0.25947E-02 3296 0.612E-02 0.548E-01 DAV: 5 -0.132921167826E+04 0.14637E-02 -0.12080E-02 3136 0.565E-02 0.229E-01 DAV: 6 -0.132921114060E+04 0.53766E-03 -0.16588E-03 2880 0.333E-02 0.123E-01 DAV: 7 -0.132921114372E+04 -0.31259E-05 -0.72446E-04 2944 0.198E-02 405 F= -.13495446E+04 E0= -.13495145E+04 d E =-.528794E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132921400845E+04 -0.28679E-02 -0.13079E+00 2816 0.141E+00 0.348E-01 DAV: 2 -0.132921729202E+04 -0.32836E-02 -0.34970E-02 3232 0.216E-01 0.403E-01 DAV: 3 -0.132921780957E+04 -0.51755E-03 -0.12294E-02 3744 0.721E-02 0.544E-01 DAV: 4 -0.132921757691E+04 0.23267E-03 -0.85529E-03 3264 0.501E-02 0.582E-01 DAV: 5 -0.132921648656E+04 0.10903E-02 -0.13171E-02 3200 0.333E-02 0.178E-01 DAV: 6 -0.132921715401E+04 -0.66746E-03 -0.43655E-03 3008 0.336E-02 0.239E-01 DAV: 7 -0.132921656178E+04 0.59223E-03 -0.14294E-03 2624 0.316E-02 0.970E-02 DAV: 8 -0.132921648813E+04 0.73645E-04 -0.87912E-04 2208 0.185E-02 406 F= -.13495489E+04 E0= -.13495187E+04 d E =-.426669E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132921481851E+04 0.17433E-02 -0.29971E+00 2816 0.213E+00 0.526E-01 DAV: 2 -0.132922223758E+04 -0.74191E-02 -0.80088E-02 3328 0.326E-01 0.605E-01 DAV: 3 -0.132922432663E+04 -0.20890E-02 -0.30002E-02 3840 0.110E-01 0.896E-01 DAV: 4 -0.132922316201E+04 0.11646E-02 -0.27539E-02 3520 0.788E-02 0.878E-01 DAV: 5 -0.132922062501E+04 0.25370E-02 -0.33730E-02 3424 0.519E-02 0.292E-01 DAV: 6 -0.132922189964E+04 -0.12746E-02 -0.53341E-03 3040 0.565E-02 0.291E-01 DAV: 7 -0.132922054094E+04 0.13587E-02 -0.23406E-03 2976 0.485E-02 0.146E-01 DAV: 8 -0.132922045380E+04 0.87143E-04 -0.19039E-03 2944 0.244E-02 0.780E-02 DAV: 9 -0.132922042211E+04 0.31692E-04 -0.66165E-04 2528 0.123E-02 407 F= -.13495511E+04 E0= -.13495208E+04 d E =-.653802E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132922299106E+04 -0.25373E-02 -0.12845E+00 2816 0.140E+00 0.410E-01 DAV: 2 -0.132922822080E+04 -0.52297E-02 -0.46748E-02 3232 0.224E-01 0.868E-01 DAV: 3 -0.132922962415E+04 -0.14033E-02 -0.64287E-02 3808 0.883E-02 0.107E+00 DAV: 4 -0.132922581682E+04 0.38073E-02 -0.33837E-02 3296 0.648E-02 0.278E-01 DAV: 5 -0.132922559162E+04 0.22520E-03 -0.59511E-03 3328 0.382E-02 0.177E-01 DAV: 6 -0.132922561042E+04 -0.18806E-04 -0.30261E-03 2784 0.291E-02 0.153E-01 DAV: 7 -0.132922551118E+04 0.99241E-04 -0.17273E-03 2976 0.214E-02 0.613E-02 DAV: 8 -0.132922550648E+04 0.47043E-05 -0.59043E-04 2464 0.122E-02 408 F= -.13495554E+04 E0= -.13495248E+04 d E =-.427688E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132922540823E+04 0.10295E-03 -0.11100E+00 2816 0.130E+00 0.383E-01 DAV: 2 -0.132922932552E+04 -0.39173E-02 -0.36238E-02 3232 0.205E-01 0.636E-01 DAV: 3 -0.132923183183E+04 -0.25063E-02 -0.46987E-02 3616 0.840E-02 0.105E+00 DAV: 4 -0.132922957836E+04 0.22535E-02 -0.39439E-02 3264 0.688E-02 0.492E-01 DAV: 5 -0.132922771160E+04 0.18668E-02 -0.93026E-03 3296 0.498E-02 0.161E-01 DAV: 6 -0.132922801795E+04 -0.30635E-03 -0.44525E-03 2816 0.342E-02 0.191E-01 DAV: 7 -0.132922766636E+04 0.35159E-03 -0.51715E-03 2624 0.284E-02 0.968E-02 DAV: 8 -0.132922757227E+04 0.94099E-04 -0.10014E-03 2560 0.183E-02 0.614E-02 DAV: 9 -0.132922756077E+04 0.11500E-04 -0.20834E-04 2240 0.105E-02 409 F= -.13495567E+04 E0= -.13495262E+04 d E =-.556452E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132922966874E+04 -0.20965E-02 -0.53603E-01 2816 0.912E-01 0.269E-01 DAV: 2 -0.132923161226E+04 -0.19435E-02 -0.15451E-02 3328 0.147E-01 0.437E-01 DAV: 3 -0.132923290240E+04 -0.12901E-02 -0.15194E-02 3616 0.638E-02 0.795E-01 DAV: 4 -0.132923134787E+04 0.15545E-02 -0.24833E-02 3200 0.462E-02 0.383E-01 DAV: 5 -0.132923073703E+04 0.61084E-03 -0.67160E-03 3008 0.369E-02 0.109E-01 DAV: 6 -0.132923123758E+04 -0.50055E-03 -0.11183E-03 2528 0.315E-02 0.223E-01 DAV: 7 -0.132923072321E+04 0.51437E-03 -0.13070E-03 2624 0.265E-02 0.799E-02 DAV: 8 -0.132923070285E+04 0.20356E-04 -0.55571E-04 2368 0.123E-02 410 F= -.13495592E+04 E0= -.13495287E+04 d E =-.251109E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132923110440E+04 -0.38119E-03 -0.41470E-01 2816 0.803E-01 0.238E-01 DAV: 2 -0.132923286113E+04 -0.17567E-02 -0.13454E-02 3264 0.130E-01 0.421E-01 DAV: 3 -0.132923364395E+04 -0.78282E-03 -0.15968E-02 3520 0.610E-02 0.683E-01 DAV: 4 -0.132923277395E+04 0.87000E-03 -0.19546E-02 3136 0.435E-02 0.322E-01 DAV: 5 -0.132923190228E+04 0.87167E-03 -0.49135E-03 3040 0.366E-02 0.788E-02 DAV: 6 -0.132923229589E+04 -0.39361E-03 -0.89197E-04 2528 0.274E-02 0.205E-01 DAV: 7 -0.132923192513E+04 0.37075E-03 -0.86374E-04 2656 0.245E-02 0.714E-02 DAV: 8 -0.132923190220E+04 0.22938E-04 -0.36232E-04 2304 0.105E-02 411 F= -.13495599E+04 E0= -.13495292E+04 d E =-.314775E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132923386763E+04 -0.19425E-02 -0.61379E-01 2816 0.982E-01 0.278E-01 DAV: 2 -0.132923582233E+04 -0.19547E-02 -0.18651E-02 3456 0.153E-01 0.379E-01 DAV: 3 -0.132923912021E+04 -0.32979E-02 -0.32563E-02 3584 0.750E-02 0.102E+00 DAV: 4 -0.132923585260E+04 0.32676E-02 -0.23831E-02 3264 0.503E-02 0.239E-01 DAV: 5 -0.132923511606E+04 0.73654E-03 -0.10014E-03 2688 0.380E-02 0.107E-01 DAV: 6 -0.132923518863E+04 -0.72570E-04 -0.15052E-03 2656 0.207E-02 0.134E-01 DAV: 7 -0.132923507878E+04 0.10986E-03 -0.11993E-03 2688 0.165E-02 0.750E-02 DAV: 8 -0.132923506280E+04 0.15981E-04 -0.45896E-04 2240 0.117E-02 412 F= -.13495624E+04 E0= -.13495316E+04 d E =-.253818E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132923487415E+04 0.20463E-03 -0.15170E+00 2816 0.154E+00 0.441E-01 DAV: 2 -0.132923913532E+04 -0.42612E-02 -0.43630E-02 3456 0.241E-01 0.466E-01 DAV: 3 -0.132924593182E+04 -0.67965E-02 -0.57868E-02 3648 0.102E-01 0.141E+00 DAV: 4 -0.132924027921E+04 0.56526E-02 -0.55435E-02 3456 0.756E-02 0.634E-01 DAV: 5 -0.132923827969E+04 0.19995E-02 -0.11843E-02 3168 0.559E-02 0.196E-01 DAV: 6 -0.132923817002E+04 0.10967E-03 -0.41017E-03 2880 0.397E-02 0.166E-01 DAV: 7 -0.132923814744E+04 0.22574E-04 -0.31377E-03 3008 0.304E-02 0.246E-01 DAV: 8 -0.132923774131E+04 0.40613E-03 -0.28207E-03 2848 0.227E-02 0.424E-02 DAV: 9 -0.132923776589E+04 -0.24574E-04 -0.20486E-04 2272 0.115E-02 413 F= -.13495641E+04 E0= -.13495333E+04 d E =-.424740E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.132923908170E+04 -0.13404E-02 -0.87209E-01 2816 0.119E+00 0.405E-01 DAV: 2 -0.132924519907E+04 -0.61174E-02 -0.38036E-02 3456 0.203E-01 0.115E+00 DAV: 3 -0.132924360166E+04 0.15974E-02 -0.49987E-02 3776 0.872E-02 0.930E-01 DAV: 4 -0.132924238205E+04 0.12196E-02 -0.52483E-02 3168 0.678E-02 0.581E-01 DAV: 5 -0.132924075006E+04 0.16320E-02 -0.15450E-02 3232 0.476E-02 0.152E-01 DAV: 6 -0.132924093469E+04 -0.18463E-03 -0.36039E-03 2752 0.284E-02 0.170E-01 DAV: 7 -0.132924132303E+04 -0.38834E-03 -0.21547E-03 2816 0.295E-02 0.252E-01 DAV: 8 -0.132924078612E+04 0.53691E-03 -0.11094E-03 2688 0.243E-02 0.535E-02 DAV: 9 -0.132924079407E+04 -0.79529E-05 -0.29931E-04 2304 0.120E-02 414 F= -.13495666E+04 E0= -.13495362E+04 d E =-.252383E-02