N E dE d eps ncg rms rms(c) DAV: 1 0.245197615604E+04 0.24520E+04 -0.19642E+05 3136 0.165E+03 DAV: 2 -0.343700774735E+03 -0.27957E+04 -0.27189E+04 4064 0.353E+02 DAV: 3 -0.526156070480E+03 -0.18246E+03 -0.18166E+03 3808 0.945E+01 DAV: 4 -0.528197232623E+03 -0.20412E+01 -0.20355E+01 4032 0.108E+01 DAV: 5 -0.528227420055E+03 -0.30187E-01 -0.30176E-01 3808 0.127E+00 0.103E+02 DAV: 6 -0.444492989628E+03 0.83734E+02 -0.25321E+02 3584 0.354E+01 0.439E+01 DAV: 7 -0.441878212191E+03 0.26148E+01 -0.17070E+01 3712 0.892E+00 0.234E+01 DAV: 8 -0.441474334457E+03 0.40388E+00 -0.13439E+00 3968 0.328E+00 0.206E+00 DAV: 9 -0.441489518078E+03 -0.15184E-01 -0.16675E-01 3584 0.104E+00 0.928E-01 DAV: 10 -0.441507620872E+03 -0.18103E-01 -0.21656E-02 3584 0.388E-01 0.360E-01 DAV: 11 -0.441512755698E+03 -0.51348E-02 -0.67198E-03 3584 0.264E-01 0.923E-02 DAV: 12 -0.441513251102E+03 -0.49540E-03 -0.88915E-04 2496 0.901E-02 1 F= -.44740614E+03 E0= -.44740614E+03 d E =-.447406E+03 N E dE d eps ncg rms rms(c) DAV: 1 0.202721385058E+03 0.64423E+03 -0.50936E+04 4480 0.381E+02 0.992E+01 DAV: 2 -0.332648982697E+03 -0.53537E+03 -0.57856E+03 4224 0.140E+02 0.102E+02 DAV: 3 -0.168084810579E+03 0.16456E+03 -0.35827E+02 4128 0.425E+01 0.546E+01 DAV: 4 -0.152708252148E+03 0.15377E+02 -0.63590E+01 3808 0.198E+01 0.576E+01 DAV: 5 -0.147445579471E+03 0.52627E+01 -0.34680E+01 4000 0.154E+01 0.573E+01 DAV: 6 -0.149345393823E+03 -0.18998E+01 -0.22284E+01 4032 0.142E+01 0.301E+01 DAV: 7 -0.143175152010E+03 0.61702E+01 -0.23009E+01 4128 0.133E+01 0.295E+01 DAV: 8 -0.139931849887E+03 0.32433E+01 -0.68399E+00 4192 0.659E+00 0.212E+01 DAV: 9 -0.138345527008E+03 0.15863E+01 -0.23081E+00 4032 0.376E+00 0.129E+01 DAV: 10 -0.138127546752E+03 0.21798E+00 -0.61668E-01 3680 0.153E+00 0.112E+01 DAV: 11 -0.138502769924E+03 -0.37522E+00 -0.96853E-01 3648 0.158E+00 0.146E+01 DAV: 12 -0.138227741931E+03 0.27503E+00 -0.30600E+00 4032 0.375E+00 0.887E+00 DAV: 13 -0.138038404901E+03 0.18934E+00 -0.40838E-01 3584 0.130E+00 0.518E+00 DAV: 14 -0.137949157043E+03 0.89248E-01 -0.23999E-01 3616 0.666E-01 0.271E+00 DAV: 15 -0.137983815252E+03 -0.34658E-01 -0.95293E-02 3968 0.486E-01 0.328E+00 DAV: 16 -0.137990642605E+03 -0.68274E-02 -0.16150E-02 3584 0.333E-01 0.310E+00 DAV: 17 -0.137971896590E+03 0.18746E-01 -0.24296E-02 3712 0.223E-01 0.128E+00 DAV: 18 -0.137970193232E+03 0.17034E-02 -0.12240E-02 3488 0.257E-01 0.750E-01 DAV: 19 -0.137968859451E+03 0.13338E-02 -0.27785E-03 3424 0.128E-01 0.588E-01 DAV: 20 -0.137967018978E+03 0.18405E-02 -0.16713E-03 2176 0.796E-02 0.341E-01 DAV: 21 -0.137966424094E+03 0.59488E-03 -0.91095E-04 2432 0.716E-02 2 F= -.14134297E+03 E0= -.14130041E+03 d E =0.306063E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.225531324648E+03 -0.87564E+02 -0.10038E+04 3136 0.215E+02 0.689E+01 DAV: 2 -0.324999620050E+03 -0.99468E+02 -0.98434E+02 3840 0.649E+01 0.534E+01 DAV: 3 -0.257687301184E+03 0.67312E+02 -0.90506E+01 3648 0.325E+01 0.384E+01 DAV: 4 -0.252315036760E+03 0.53723E+01 -0.31013E+01 3360 0.152E+01 0.224E+01 DAV: 5 -0.255759740248E+03 -0.34447E+01 -0.11632E+01 3840 0.910E+00 0.264E+01 DAV: 6 -0.249655014846E+03 0.61047E+01 -0.74538E+00 3840 0.640E+00 0.148E+01 DAV: 7 -0.251243309912E+03 -0.15883E+01 -0.78725E+00 3936 0.670E+00 0.257E+01 DAV: 8 -0.248402245042E+03 0.28411E+01 -0.30518E+00 4032 0.415E+00 0.136E+01 DAV: 9 -0.248823739766E+03 -0.42149E+00 -0.39462E+00 4224 0.376E+00 0.188E+01 DAV: 10 -0.247645808376E+03 0.11779E+01 -0.94725E-01 3808 0.190E+00 0.583E+00 DAV: 11 -0.248255717498E+03 -0.60991E+00 -0.10625E+00 4064 0.137E+00 0.143E+01 DAV: 12 -0.247578297975E+03 0.67742E+00 -0.39488E-01 3904 0.897E-01 0.433E+00 DAV: 13 -0.247580055929E+03 -0.17580E-02 -0.26159E-01 3424 0.571E-01 0.368E+00 DAV: 14 -0.247560287158E+03 0.19769E-01 -0.46390E-02 3136 0.367E-01 0.166E+00 DAV: 15 -0.247571807060E+03 -0.11520E-01 -0.48441E-02 3008 0.212E-01 0.251E+00 DAV: 16 -0.247560437569E+03 0.11369E-01 -0.80590E-03 2464 0.177E-01 0.121E+00 DAV: 17 -0.247559670155E+03 0.76741E-03 -0.83319E-03 3104 0.173E-01 3 F= -.25146035E+03 E0= -.25140469E+03 d E =0.195946E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.301262589324E+03 -0.53702E+02 -0.32550E+03 3136 0.122E+02 0.454E+01 DAV: 2 -0.326668107366E+03 -0.25406E+02 -0.21874E+02 3168 0.313E+01 0.483E+01 DAV: 3 -0.304934858062E+03 0.21733E+02 -0.19045E+01 3872 0.159E+01 0.158E+01 DAV: 4 -0.317503567718E+03 -0.12569E+02 -0.41310E+01 3456 0.144E+01 0.331E+01 DAV: 5 -0.303368758990E+03 0.14135E+02 -0.58183E+00 3904 0.887E+00 0.268E+01 DAV: 6 -0.303778346364E+03 -0.40959E+00 -0.23968E+00 3392 0.364E+00 0.148E+01 DAV: 7 -0.302674570241E+03 0.11038E+01 -0.11437E+00 3808 0.219E+00 0.639E+00 DAV: 8 -0.302541885196E+03 0.13269E+00 -0.75248E-01 3904 0.149E+00 0.983E+00 DAV: 9 -0.302543200869E+03 -0.13157E-02 -0.52346E-01 3776 0.117E+00 0.420E+00 DAV: 10 -0.302588390016E+03 -0.45189E-01 -0.79745E-01 3680 0.104E+00 0.748E+00 DAV: 11 -0.302454101046E+03 0.13429E+00 -0.34102E-01 3712 0.558E-01 0.258E+00 DAV: 12 -0.302456049434E+03 -0.19484E-02 -0.10942E-02 3200 0.273E-01 0.183E+00 DAV: 13 -0.302458067957E+03 -0.20185E-02 -0.34945E-03 2176 0.135E-01 0.155E+00 DAV: 14 -0.302453405231E+03 0.46627E-02 -0.46544E-02 2912 0.191E-01 0.127E+00 DAV: 15 -0.302451226855E+03 0.21784E-02 -0.36361E-03 1856 0.102E-01 0.451E-01 DAV: 16 -0.302451462406E+03 -0.23555E-03 -0.32097E-03 1568 0.645E-02 4 F= -.30662089E+03 E0= -.30657801E+03 d E =0.140785E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.376336556840E+03 -0.73885E+02 -0.11117E+04 3136 0.223E+02 0.468E+01 DAV: 2 -0.439512163391E+03 -0.63176E+02 -0.89151E+02 3168 0.614E+01 0.351E+01 DAV: 3 -0.426431085475E+03 0.13081E+02 -0.32351E+01 3712 0.176E+01 0.200E+01 DAV: 4 -0.424671311908E+03 0.17598E+01 -0.16628E+01 3392 0.907E+00 0.794E+00 DAV: 5 -0.424537479238E+03 0.13383E+00 -0.78136E-01 3840 0.341E+00 0.212E+00 DAV: 6 -0.424523751854E+03 0.13727E-01 -0.23737E-01 3808 0.132E+00 0.126E+00 DAV: 7 -0.424515513250E+03 0.82386E-02 -0.34526E-02 3808 0.557E-01 0.647E-01 DAV: 8 -0.424514217257E+03 0.12960E-02 -0.11642E-02 3584 0.274E-01 0.266E-01 DAV: 9 -0.424513756520E+03 0.46074E-03 -0.30412E-03 3360 0.142E-01 5 F= -.42937819E+03 E0= -.42937819E+03 d E =0.180279E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.476450813637E+03 -0.51937E+02 -0.31860E+03 3136 0.127E+02 0.187E+01 DAV: 2 -0.484583123115E+03 -0.81323E+01 -0.11761E+02 3776 0.235E+01 0.945E+00 DAV: 3 -0.483728502892E+03 0.85462E+00 -0.24437E+00 3872 0.388E+00 0.536E+00 DAV: 4 -0.483330141914E+03 0.39836E+00 -0.15757E+00 3712 0.312E+00 0.133E+00 DAV: 5 -0.483314924768E+03 0.15217E-01 -0.23469E-01 4032 0.140E+00 0.561E-01 DAV: 6 -0.483316590569E+03 -0.16658E-02 -0.29438E-02 4032 0.433E-01 0.496E-01 DAV: 7 -0.483316079520E+03 0.51105E-03 -0.23678E-03 3168 0.153E-01 6 F= -.48863603E+03 E0= -.48863603E+03 d E =-.412299E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.498601904415E+03 -0.15285E+02 -0.86358E+02 3136 0.678E+01 0.898E+00 DAV: 2 -0.500477164665E+03 -0.18753E+01 -0.24951E+01 4000 0.111E+01 0.500E+00 DAV: 3 -0.500178030534E+03 0.29913E+00 -0.51943E-01 3936 0.186E+00 0.258E+00 DAV: 4 -0.500089886709E+03 0.88144E-01 -0.30412E-01 3808 0.147E+00 0.570E-01 DAV: 5 -0.500091545713E+03 -0.16590E-02 -0.51888E-02 4032 0.558E-01 0.332E-01 DAV: 6 -0.500091089422E+03 0.45629E-03 -0.37101E-03 3584 0.149E-01 7 F= -.50568046E+03 E0= -.50568046E+03 d E =-.582743E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.500741075898E+03 -0.64953E+00 -0.14933E+02 3584 0.287E+01 0.386E+00 DAV: 2 -0.501047095074E+03 -0.30602E+00 -0.42374E+00 4032 0.444E+00 0.224E+00 DAV: 3 -0.500981791344E+03 0.65304E-01 -0.98334E-02 3936 0.830E-01 0.111E+00 DAV: 4 -0.500965365054E+03 0.16426E-01 -0.54827E-02 3808 0.612E-01 0.279E-01 DAV: 5 -0.500965703765E+03 -0.33871E-03 -0.93985E-03 4032 0.231E-01 8 F= -.50666460E+03 E0= -.50666460E+03 d E =-.592585E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.501188063310E+03 -0.22270E+00 -0.15404E+01 3584 0.908E+00 0.145E+00 DAV: 2 -0.501216323579E+03 -0.28260E-01 -0.41846E-01 4032 0.140E+00 0.687E-01 DAV: 3 -0.501209332033E+03 0.69915E-02 -0.10890E-02 3904 0.280E-01 0.315E-01 DAV: 4 -0.501208038296E+03 0.12937E-02 -0.59015E-03 3776 0.193E-01 0.718E-02 DAV: 5 -0.501208084482E+03 -0.46186E-04 -0.73580E-04 2240 0.633E-02 9 F= -.50687202E+03 E0= -.50687202E+03 d E =-.594659E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.501207476623E+03 0.56167E-03 -0.18192E-01 3584 0.988E-01 0.161E-01 DAV: 2 -0.501207793471E+03 -0.31685E-03 -0.47625E-03 3456 0.151E-01 10 F= -.50687556E+03 E0= -.50687556E+03 d E =-.594694E+02 N E dE d eps ncg rms rms(c) DAV: 1 -0.496893090784E+03 0.43144E+01 -0.13417E+03 3136 0.837E+01 0.144E+01 DAV: 2 -0.499038884715E+03 -0.21458E+01 -0.41159E+01 4032 0.139E+01 0.860E+00 DAV: 3 -0.498446379291E+03 0.59251E+00 -0.42551E+00 3776 0.491E+00 0.331E+00 DAV: 4 -0.498360517453E+03 0.85862E-01 -0.37882E-01 3904 0.164E+00 0.145E+00 DAV: 5 -0.498353659316E+03 0.68581E-02 -0.93336E-02 3840 0.746E-01 0.344E-01 DAV: 6 -0.498353281597E+03 0.37772E-03 -0.10732E-02 3808 0.266E-01 0.228E-01 DAV: 7 -0.498353512140E+03 -0.23054E-03 -0.42522E-03 3808 0.161E-01 11 F= -.50382429E+03 E0= -.50382429E+03 d E =0.305127E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.503528845453E+03 -0.51756E+01 -0.47635E+02 3456 0.504E+01 0.103E+01 DAV: 2 -0.503979539309E+03 -0.45069E+00 -0.17666E+01 4032 0.948E+00 0.452E+00 DAV: 3 -0.503805910711E+03 0.17363E+00 -0.66404E-01 3840 0.202E+00 0.233E+00 DAV: 4 -0.503761358074E+03 0.44553E-01 -0.26286E-01 3872 0.127E+00 0.552E-01 DAV: 5 -0.503760758262E+03 0.59981E-03 -0.34548E-02 3904 0.503E-01 0.238E-01 DAV: 6 -0.503760663276E+03 0.94986E-04 -0.61248E-03 3808 0.188E-01 12 F= -.50934852E+03 E0= -.50934852E+03 d E =-.247296E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505120548930E+03 -0.13598E+01 -0.48300E+02 3136 0.508E+01 0.687E+00 DAV: 2 -0.505326124273E+03 -0.20558E+00 -0.81758E+00 4032 0.672E+00 0.299E+00 DAV: 3 -0.505217737097E+03 0.10839E+00 -0.30512E-01 3840 0.130E+00 0.152E+00 DAV: 4 -0.505195449045E+03 0.22288E-01 -0.86476E-02 3808 0.806E-01 0.467E-01 DAV: 5 -0.505196258015E+03 -0.80897E-03 -0.16125E-02 3936 0.318E-01 0.199E-01 DAV: 6 -0.505195871668E+03 0.38635E-03 -0.15620E-03 2400 0.115E-01 13 F= -.51072193E+03 E0= -.51072193E+03 d E =-.137341E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505237459852E+03 -0.41202E-01 -0.12878E+01 3264 0.828E+00 0.126E+00 DAV: 2 -0.505241538022E+03 -0.40782E-02 -0.26598E-01 4032 0.116E+00 0.472E-01 DAV: 3 -0.505238801046E+03 0.27370E-02 -0.55539E-03 3840 0.204E-01 0.262E-01 DAV: 4 -0.505238123433E+03 0.67761E-03 -0.50010E-03 3744 0.187E-01 14 F= -.51077522E+03 E0= -.51077522E+03 d E =-.142670E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.504936415413E+03 0.30239E+00 -0.11501E+02 3200 0.265E+01 0.742E+00 DAV: 2 -0.505189174774E+03 -0.25276E+00 -0.32965E+00 4032 0.418E+00 0.281E+00 DAV: 3 -0.505133583087E+03 0.55592E-01 -0.15728E-01 3840 0.123E+00 0.920E-01 DAV: 4 -0.505125829106E+03 0.77540E-02 -0.36019E-02 4000 0.578E-01 0.379E-01 DAV: 5 -0.505124678993E+03 0.11501E-02 -0.74098E-03 3968 0.268E-01 0.204E-01 DAV: 6 -0.505123910453E+03 0.76854E-03 -0.98890E-04 2912 0.152E-01 15 F= -.51064365E+03 E0= -.51064365E+03 d E =0.131570E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505451127624E+03 -0.32645E+00 -0.36051E+01 3136 0.149E+01 0.330E+00 DAV: 2 -0.505534738315E+03 -0.83611E-01 -0.10739E+00 4000 0.237E+00 0.189E+00 DAV: 3 -0.505518581672E+03 0.16157E-01 -0.40393E-02 4000 0.606E-01 0.990E-01 DAV: 4 -0.505515042006E+03 0.35397E-02 -0.12951E-02 3840 0.362E-01 0.245E-01 DAV: 5 -0.505515077037E+03 -0.35031E-04 -0.29498E-03 3616 0.157E-01 16 F= -.51104406E+03 E0= -.51104406E+03 d E =-.268840E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505604258866E+03 -0.89217E-01 -0.13920E+01 3136 0.916E+00 0.373E+00 DAV: 2 -0.505562509169E+03 0.41750E-01 -0.41635E-01 4032 0.156E+00 0.161E+00 DAV: 3 -0.505557027627E+03 0.54815E-02 -0.54313E-02 3776 0.517E-01 0.555E-01 DAV: 4 -0.505555538873E+03 0.14888E-02 -0.95709E-03 4000 0.263E-01 0.155E-01 DAV: 5 -0.505555532906E+03 0.59666E-05 -0.68970E-04 2240 0.734E-02 17 F= -.51111846E+03 E0= -.51111846E+03 d E =-.744045E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505563498720E+03 -0.79598E-02 -0.27665E-01 3584 0.129E+00 0.542E-01 DAV: 2 -0.505562585379E+03 0.91334E-03 -0.83666E-03 4032 0.223E-01 18 F= -.51112070E+03 E0= -.51112070E+03 d E =-.766378E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505675512466E+03 -0.11201E+00 -0.83011E+00 3136 0.695E+00 0.211E+00 DAV: 2 -0.505615130598E+03 0.60382E-01 -0.26587E-01 3872 0.123E+00 0.661E-01 DAV: 3 -0.505610709918E+03 0.44207E-02 -0.37379E-02 3808 0.422E-01 0.279E-01 DAV: 4 -0.505610000362E+03 0.70956E-03 -0.30676E-03 3776 0.144E-01 19 F= -.51120760E+03 E0= -.51120760E+03 d E =-.869043E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505848818543E+03 -0.23811E+00 -0.34851E+01 3136 0.143E+01 0.442E+00 DAV: 2 -0.505600822132E+03 0.24800E+00 -0.11228E+00 3808 0.252E+00 0.141E+00 DAV: 3 -0.505581731455E+03 0.19091E-01 -0.15332E-01 3808 0.864E-01 0.592E-01 DAV: 4 -0.505578625551E+03 0.31059E-02 -0.13709E-02 3936 0.308E-01 0.321E-01 DAV: 5 -0.505578027981E+03 0.59757E-03 -0.17089E-03 2976 0.136E-01 20 F= -.51125773E+03 E0= -.51125773E+03 d E =-.137035E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505614176028E+03 -0.35550E-01 -0.17917E+00 3264 0.323E+00 0.101E+00 DAV: 2 -0.505601929306E+03 0.12247E-01 -0.55911E-02 3744 0.566E-01 0.346E-01 DAV: 3 -0.505600928043E+03 0.10013E-02 -0.83966E-03 3808 0.202E-01 0.149E-01 DAV: 4 -0.505600765505E+03 0.16254E-03 -0.68418E-04 2240 0.695E-02 21 F= -.51126174E+03 E0= -.51126174E+03 d E =-.141040E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505650304991E+03 -0.49377E-01 -0.29236E+00 3136 0.415E+00 0.114E+00 DAV: 2 -0.505632980439E+03 0.17325E-01 -0.98177E-02 4032 0.737E-01 0.487E-01 DAV: 3 -0.505631094625E+03 0.18858E-02 -0.80307E-03 3840 0.210E-01 0.161E-01 DAV: 4 -0.505630893146E+03 0.20148E-03 -0.94912E-04 2624 0.869E-02 22 F= -.51131178E+03 E0= -.51131178E+03 d E =-.500449E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505840692066E+03 -0.20960E+00 -0.26234E+01 3136 0.124E+01 0.342E+00 DAV: 2 -0.505685658976E+03 0.15503E+00 -0.89516E-01 4000 0.222E+00 0.148E+00 DAV: 3 -0.505669252649E+03 0.16406E-01 -0.70293E-02 3808 0.622E-01 0.518E-01 DAV: 4 -0.505667356021E+03 0.18966E-02 -0.93624E-03 4000 0.269E-01 0.258E-01 DAV: 5 -0.505667147855E+03 0.20817E-03 -0.15232E-03 2496 0.104E-01 23 F= -.51140814E+03 E0= -.51140814E+03 d E =-.146400E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.506195882152E+03 -0.52853E+00 -0.10536E+02 3136 0.250E+01 0.685E+00 DAV: 2 -0.505568189368E+03 0.62769E+00 -0.37611E+00 3936 0.452E+00 0.291E+00 DAV: 3 -0.505503165651E+03 0.65024E-01 -0.27800E-01 3808 0.125E+00 0.105E+00 DAV: 4 -0.505495078298E+03 0.80874E-02 -0.38694E-02 4000 0.559E-01 0.528E-01 DAV: 5 -0.505494363636E+03 0.71466E-03 -0.68703E-03 3808 0.212E-01 24 F= -.51135699E+03 E0= -.51135699E+03 d E =-.952528E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505931497566E+03 -0.43642E+00 -0.46094E+01 3136 0.164E+01 0.436E+00 DAV: 2 -0.505679238144E+03 0.25226E+00 -0.14221E+00 3904 0.285E+00 0.177E+00 DAV: 3 -0.505648323646E+03 0.30914E-01 -0.13776E-01 3808 0.876E-01 0.517E-01 DAV: 4 -0.505646000506E+03 0.23231E-02 -0.15362E-02 3968 0.334E-01 0.288E-01 DAV: 5 -0.505645540621E+03 0.45988E-03 -0.23472E-03 2912 0.121E-01 25 F= -.51142736E+03 E0= -.51142736E+03 d E =-.165619E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.505672134252E+03 -0.26134E-01 -0.32105E+00 3136 0.440E+00 0.114E+00 DAV: 2 -0.505664379459E+03 0.77548E-02 -0.10064E-01 3968 0.758E-01 0.452E-01 DAV: 3 -0.505662528253E+03 0.18512E-02 -0.70044E-03 3808 0.211E-01 0.141E-01 DAV: 4 -0.505662365862E+03 0.16239E-03 -0.99565E-04 2496 0.910E-02 26 F= -.51145841E+03 E0= -.51145841E+03 d E =-.310538E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505661325150E+03 0.12031E-02 -0.61994E-01 3328 0.193E+00 0.539E-01 DAV: 2 -0.505659746157E+03 0.15790E-02 -0.19094E-02 4032 0.330E-01 0.219E-01 DAV: 3 -0.505659353946E+03 0.39221E-03 -0.13470E-03 2560 0.976E-02 27 F= -.51146166E+03 E0= -.51146166E+03 d E =-.343066E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505670246702E+03 -0.10501E-01 -0.71257E-01 3200 0.207E+00 0.469E-01 DAV: 2 -0.505669824129E+03 0.42257E-03 -0.14498E-02 3904 0.296E-01 0.160E-01 DAV: 3 -0.505669613339E+03 0.21079E-03 -0.11056E-03 2240 0.798E-02 28 F= -.51147709E+03 E0= -.51147709E+03 d E =-.154236E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505688077875E+03 -0.18254E-01 -0.64093E+00 3136 0.621E+00 0.143E+00 DAV: 2 -0.505683423238E+03 0.46546E-02 -0.12968E-01 4000 0.887E-01 0.479E-01 DAV: 3 -0.505681626764E+03 0.17965E-02 -0.10737E-02 3840 0.241E-01 0.214E-01 DAV: 4 -0.505681389302E+03 0.23746E-03 -0.12953E-03 2336 0.107E-01 29 F= -.51150454E+03 E0= -.51150454E+03 d E =-.428752E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505678542570E+03 0.30842E-02 -0.13717E+00 3136 0.287E+00 0.665E-01 DAV: 2 -0.505677544045E+03 0.99853E-03 -0.27514E-02 4000 0.411E-01 0.215E-01 DAV: 3 -0.505677170387E+03 0.37366E-03 -0.21832E-03 2592 0.113E-01 30 F= -.51150767E+03 E0= -.51150767E+03 d E =-.460096E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505687203586E+03 -0.96595E-02 -0.22840E+00 3136 0.363E+00 0.500E-01 DAV: 2 -0.505690884061E+03 -0.36805E-02 -0.49207E-02 4000 0.526E-01 0.246E-01 DAV: 3 -0.505690226301E+03 0.65776E-03 -0.12264E-03 2464 0.112E-01 31 F= -.51152078E+03 E0= -.51152078E+03 d E =-.131041E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505690265477E+03 0.61858E-03 -0.83590E-02 3584 0.692E-01 0.113E-01 DAV: 2 -0.505690343006E+03 -0.77530E-04 -0.13597E-03 2880 0.946E-02 32 F= -.51152091E+03 E0= -.51152091E+03 d E =-.132361E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505706314930E+03 -0.16049E-01 -0.21726E+00 3136 0.353E+00 0.406E-01 DAV: 2 -0.505708994091E+03 -0.26792E-02 -0.38616E-02 3904 0.471E-01 0.276E-01 DAV: 3 -0.505708625044E+03 0.36905E-03 -0.82742E-04 2368 0.813E-02 33 F= -.51153418E+03 E0= -.51153418E+03 d E =-.132743E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505716976324E+03 -0.79822E-02 -0.51836E+00 3136 0.545E+00 0.626E-01 DAV: 2 -0.505722949288E+03 -0.59730E-02 -0.89009E-02 3936 0.724E-01 0.427E-01 DAV: 3 -0.505722183003E+03 0.76629E-03 -0.22314E-03 3072 0.128E-01 34 F= -.51154000E+03 E0= -.51154000E+03 d E =-.190936E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.505728781415E+03 -0.58321E-02 -0.28145E+00 3136 0.405E+00 0.664E-01 DAV: 2 -0.505732834369E+03 -0.40530E-02 -0.53459E-02 4000 0.551E-01 0.272E-01 DAV: 3 -0.505732167729E+03 0.66664E-03 -0.14132E-03 2528 0.123E-01 35 F= -.51154813E+03 E0= -.51154813E+03 d E =-.812889E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505732438330E+03 0.39604E-03 -0.78883E-02 3584 0.676E-01 0.130E-01 DAV: 2 -0.505732506688E+03 -0.68358E-04 -0.11042E-03 2880 0.824E-02 36 F= -.51154815E+03 E0= -.51154815E+03 d E =-.814814E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505736304330E+03 -0.38660E-02 -0.32134E-01 3264 0.140E+00 0.347E-01 DAV: 2 -0.505736696764E+03 -0.39243E-03 -0.74028E-03 4032 0.211E-01 37 F= -.51155270E+03 E0= -.51155270E+03 d E =-.454722E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505737064908E+03 -0.76058E-03 -0.24637E-01 3328 0.122E+00 0.370E-01 DAV: 2 -0.505737198918E+03 -0.13401E-03 -0.49466E-03 3808 0.175E-01 38 F= -.51155352E+03 E0= -.51155352E+03 d E =-.537203E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505739808865E+03 -0.27440E-02 -0.13394E-01 3424 0.900E-01 0.203E-01 DAV: 2 -0.505739784794E+03 0.24071E-04 -0.22562E-03 3136 0.120E-01 39 F= -.51155646E+03 E0= -.51155646E+03 d E =-.293449E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505743576810E+03 -0.37679E-02 -0.12242E+00 3136 0.272E+00 0.540E-01 DAV: 2 -0.505743641223E+03 -0.64413E-04 -0.21246E-02 3904 0.364E-01 0.274E-01 DAV: 3 -0.505742865255E+03 0.77597E-03 -0.11636E-03 2560 0.104E-01 40 F= -.51156061E+03 E0= -.51156061E+03 d E =-.708478E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505745415557E+03 -0.17743E-02 -0.30433E-01 3264 0.135E+00 0.357E-01 DAV: 2 -0.505745720816E+03 -0.30526E-03 -0.70784E-03 3776 0.206E-01 41 F= -.51156427E+03 E0= -.51156427E+03 d E =-.366020E-02