N E dE d eps ncg rms rms(c) DAV: 1 0.359312765029E+04 0.35931E+04 -0.25111E+05 4384 0.120E+03 DAV: 2 -0.457068259161E+03 -0.40502E+04 -0.39693E+04 5184 0.327E+02 DAV: 3 -0.745002701563E+03 -0.28793E+03 -0.28682E+03 5568 0.950E+01 DAV: 4 -0.750970102958E+03 -0.59674E+01 -0.59534E+01 6112 0.131E+01 DAV: 5 -0.751289482029E+03 -0.31938E+00 -0.31928E+00 6592 0.201E+00 0.129E+02 DAV: 6 -0.675514765103E+03 0.75775E+02 -0.30426E+02 5088 0.284E+01 0.692E+01 DAV: 7 -0.675956405344E+03 -0.44164E+00 -0.21505E+01 5408 0.757E+00 0.158E+01 DAV: 8 -0.675859924901E+03 0.96480E-01 -0.13360E+00 5664 0.225E+00 0.377E+00 DAV: 9 -0.675889218267E+03 -0.29293E-01 -0.20313E-01 5280 0.100E+00 0.101E+00 DAV: 10 -0.675903138493E+03 -0.13920E-01 -0.43647E-02 5888 0.453E-01 0.525E-01 DAV: 11 -0.675905738420E+03 -0.25999E-02 -0.89421E-03 5312 0.212E-01 0.218E-01 DAV: 12 -0.675906192180E+03 -0.45376E-03 -0.29207E-03 5120 0.136E-01 0.833E-02 DAV: 13 -0.675906210331E+03 -0.18151E-04 -0.11448E-03 5408 0.796E-02 0.456E-02 DAV: 14 -0.675906185611E+03 0.24720E-04 -0.30606E-04 5376 0.413E-02 0.228E-02 DAV: 15 -0.675906177803E+03 0.78076E-05 -0.59509E-05 5536 0.202E-02 1 F= -.67590618E+03 E0= -.67590618E+03 d E =-.675906E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675949238048E+03 -0.43052E-01 -0.13760E+00 4992 0.239E+00 0.172E+00 DAV: 2 -0.675914482061E+03 0.34756E-01 -0.11751E-01 5088 0.629E-01 0.530E-01 DAV: 3 -0.675911001997E+03 0.34801E-02 -0.13851E-02 5600 0.198E-01 0.235E-01 DAV: 4 -0.675910804469E+03 0.19753E-03 -0.15592E-03 5632 0.754E-02 0.128E-01 DAV: 5 -0.675910856892E+03 -0.52423E-04 -0.22191E-04 6304 0.259E-02 0.496E-02 DAV: 6 -0.675910879149E+03 -0.22257E-04 -0.40801E-05 4928 0.120E-02 0.200E-02 DAV: 7 -0.675910895506E+03 -0.16357E-04 -0.77039E-06 3520 0.585E-03 0.673E-03 DAV: 8 -0.675910900721E+03 -0.52152E-05 -0.30114E-06 2784 0.361E-03 2 F= -.67591090E+03 E0= -.67591090E+03 d E =-.472292E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675913921500E+03 -0.30260E-02 -0.86958E-02 4992 0.601E-01 0.432E-01 DAV: 2 -0.675911751158E+03 0.21703E-02 -0.74027E-03 5088 0.158E-01 0.135E-01 DAV: 3 -0.675911535170E+03 0.21599E-03 -0.88342E-04 5568 0.499E-02 0.610E-02 DAV: 4 -0.675911508957E+03 0.26213E-04 -0.10060E-04 5664 0.191E-02 0.330E-02 DAV: 5 -0.675911498488E+03 0.10469E-04 -0.11917E-05 3744 0.662E-03 0.117E-02 DAV: 6 -0.675911494327E+03 0.41611E-05 -0.32953E-06 2688 0.360E-03 3 F= -.67591149E+03 E0= -.67591149E+03 d E =-.531652E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675926648128E+03 -0.15150E-01 -0.13192E+00 4608 0.224E+00 0.961E-01 DAV: 2 -0.675915532827E+03 0.11115E-01 -0.63720E-02 5376 0.454E-01 0.396E-01 DAV: 3 -0.675914020121E+03 0.15127E-02 -0.43047E-03 5280 0.124E-01 0.174E-01 DAV: 4 -0.675913847279E+03 0.17284E-03 -0.12759E-03 5568 0.673E-02 0.764E-02 DAV: 5 -0.675913863202E+03 -0.15922E-04 -0.97941E-05 5696 0.191E-02 0.689E-02 DAV: 6 -0.675913878306E+03 -0.15105E-04 -0.18570E-05 4288 0.873E-03 0.307E-02 DAV: 7 -0.675913890261E+03 -0.11955E-04 -0.12352E-05 3648 0.898E-03 0.711E-03 DAV: 8 -0.675913891184E+03 -0.92312E-06 -0.57377E-06 2688 0.475E-03 4 F= -.67591389E+03 E0= -.67591389E+03 d E =-.239686E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675915114986E+03 -0.12247E-02 -0.90810E-02 4608 0.588E-01 0.253E-01 DAV: 2 -0.675914364041E+03 0.75094E-03 -0.43713E-03 5376 0.119E-01 0.104E-01 DAV: 3 -0.675914262311E+03 0.10173E-03 -0.30229E-04 5280 0.326E-02 0.447E-02 DAV: 4 -0.675914244080E+03 0.18231E-04 -0.85112E-05 5568 0.173E-02 0.196E-02 DAV: 5 -0.675914239863E+03 0.42167E-05 -0.52974E-06 3200 0.482E-03 5 F= -.67591424E+03 E0= -.67591424E+03 d E =-.274554E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675914896935E+03 -0.65286E-03 -0.23484E-01 4608 0.921E-01 0.415E-01 DAV: 2 -0.675914931480E+03 -0.34545E-04 -0.90202E-03 5376 0.168E-01 0.207E-01 DAV: 3 -0.675914760145E+03 0.17133E-03 -0.42547E-04 5376 0.449E-02 0.912E-02 DAV: 4 -0.675914745014E+03 0.15132E-04 -0.14963E-04 5312 0.250E-02 0.286E-02 DAV: 5 -0.675914749263E+03 -0.42498E-05 -0.21821E-05 4256 0.117E-02 6 F= -.67591475E+03 E0= -.67591475E+03 d E =-.509400E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675914906559E+03 -0.16155E-03 -0.23010E-02 4608 0.289E-01 0.130E-01 DAV: 2 -0.675914911842E+03 -0.52834E-05 -0.87704E-04 5376 0.525E-02 0.643E-02 DAV: 3 -0.675914896008E+03 0.15835E-04 -0.44285E-05 5344 0.145E-02 0.275E-02 DAV: 4 -0.675914892949E+03 0.30588E-05 -0.14123E-05 4096 0.763E-03 7 F= -.67591489E+03 E0= -.67591489E+03 d E =-.653086E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675915711140E+03 -0.81513E-03 -0.13048E-01 4544 0.688E-01 0.149E-01 DAV: 2 -0.675915875327E+03 -0.16419E-03 -0.30742E-03 5184 0.102E-01 0.631E-02 DAV: 3 -0.675915836546E+03 0.38781E-04 -0.94872E-05 5568 0.210E-02 0.318E-02 DAV: 4 -0.675915830174E+03 0.63716E-05 -0.37485E-05 5280 0.135E-02 8 F= -.67591583E+03 E0= -.67591583E+03 d E =-.937225E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675916136915E+03 -0.30037E-03 -0.29505E-01 4352 0.103E+00 0.226E-01 DAV: 2 -0.675916515705E+03 -0.37879E-03 -0.69377E-03 5184 0.152E-01 0.954E-02 DAV: 3 -0.675916433029E+03 0.82676E-04 -0.20973E-04 5568 0.313E-02 0.479E-02 DAV: 4 -0.675916420219E+03 0.12809E-04 -0.86050E-05 5376 0.205E-02 0.168E-02 DAV: 5 -0.675916423547E+03 -0.33273E-05 -0.13483E-05 3520 0.914E-03 9 F= -.67591642E+03 E0= -.67591642E+03 d E =-.153060E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675916836375E+03 -0.41616E-03 -0.16705E-02 4608 0.245E-01 0.469E-02 DAV: 2 -0.675916868617E+03 -0.32242E-04 -0.38872E-04 5248 0.356E-02 0.209E-02 DAV: 3 -0.675916866153E+03 0.24638E-05 -0.76902E-06 3200 0.672E-03 10 F= -.67591687E+03 E0= -.67591687E+03 d E =-.442607E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675917682461E+03 -0.81384E-03 -0.14934E-01 4416 0.732E-01 0.142E-01 DAV: 2 -0.675917954365E+03 -0.27190E-03 -0.34027E-03 5280 0.106E-01 0.657E-02 DAV: 3 -0.675917930126E+03 0.24239E-04 -0.81849E-05 5440 0.200E-02 0.353E-02 DAV: 4 -0.675917928296E+03 0.18304E-05 -0.34458E-05 5056 0.124E-02 11 F= -.67591793E+03 E0= -.67591793E+03 d E =-.150475E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675917896525E+03 0.33601E-04 -0.60071E-01 4288 0.147E+00 0.285E-01 DAV: 2 -0.675919014714E+03 -0.11182E-02 -0.13882E-02 5280 0.214E-01 0.130E-01 DAV: 3 -0.675918915320E+03 0.99394E-04 -0.32688E-04 5440 0.404E-02 0.701E-02 DAV: 4 -0.675918906200E+03 0.91199E-05 -0.13986E-04 5248 0.248E-02 0.225E-02 DAV: 5 -0.675918909510E+03 -0.33093E-05 -0.20234E-05 4128 0.117E-02 12 F= -.67591891E+03 E0= -.67591891E+03 d E =-.248596E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675919652721E+03 -0.74652E-03 -0.11397E-01 4416 0.639E-01 0.126E-01 DAV: 2 -0.675919879295E+03 -0.22657E-03 -0.26470E-03 5152 0.930E-02 0.539E-02 DAV: 3 -0.675919862082E+03 0.17213E-04 -0.54798E-05 5568 0.168E-02 0.313E-02 DAV: 4 -0.675919859427E+03 0.26551E-05 -0.33696E-05 4768 0.126E-02 13 F= -.67591986E+03 E0= -.67591986E+03 d E =-.949918E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675919583477E+03 0.27861E-03 -0.10256E+00 4288 0.192E+00 0.379E-01 DAV: 2 -0.675921584423E+03 -0.20009E-02 -0.23648E-02 5152 0.279E-01 0.165E-01 DAV: 3 -0.675921416219E+03 0.16820E-03 -0.50432E-04 5568 0.511E-02 0.954E-02 DAV: 4 -0.675921387694E+03 0.28525E-04 -0.32214E-04 5280 0.391E-02 0.286E-02 DAV: 5 -0.675921388355E+03 -0.66141E-06 -0.50855E-05 5120 0.170E-02 14 F= -.67592139E+03 E0= -.67592139E+03 d E =-.247885E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675922333689E+03 -0.94600E-03 -0.14079E-01 4352 0.700E-01 0.103E-01 DAV: 2 -0.675922606879E+03 -0.27319E-03 -0.32407E-03 5120 0.102E-01 0.507E-02 DAV: 3 -0.675922592876E+03 0.14003E-04 -0.60583E-05 5568 0.167E-02 0.309E-02 DAV: 4 -0.675922591058E+03 0.18176E-05 -0.37106E-05 4992 0.125E-02 15 F= -.67592259E+03 E0= -.67592259E+03 d E =-.120270E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675923193266E+03 -0.60039E-03 -0.12678E+00 4224 0.210E+00 0.306E-01 DAV: 2 -0.675925584265E+03 -0.23910E-02 -0.28789E-02 5120 0.306E-01 0.158E-01 DAV: 3 -0.675925442779E+03 0.14149E-03 -0.56296E-04 5568 0.504E-02 0.955E-02 DAV: 4 -0.675925421417E+03 0.21363E-04 -0.35194E-04 5184 0.385E-02 0.333E-02 DAV: 5 -0.675925424589E+03 -0.31725E-05 -0.56927E-05 5216 0.193E-02 16 F= -.67592542E+03 E0= -.67592542E+03 d E =-.403623E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675918633604E+03 0.67878E-02 -0.50673E+00 4224 0.420E+00 0.608E-01 DAV: 2 -0.675928222000E+03 -0.95884E-02 -0.11479E-01 5120 0.611E-01 0.313E-01 DAV: 3 -0.675927665040E+03 0.55696E-03 -0.22201E-03 5568 0.996E-02 0.190E-01 DAV: 4 -0.675927580379E+03 0.84661E-04 -0.13735E-03 5184 0.760E-02 0.661E-02 DAV: 5 -0.675927596867E+03 -0.16488E-04 -0.22487E-04 5408 0.380E-02 0.254E-02 DAV: 6 -0.675927603226E+03 -0.63589E-05 -0.42552E-05 5024 0.122E-02 17 F= -.67592760E+03 E0= -.67592760E+03 d E =-.621487E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675928166246E+03 -0.56938E-03 -0.15760E-01 4352 0.745E-01 0.126E-01 DAV: 2 -0.675928478210E+03 -0.31196E-03 -0.35239E-03 5152 0.106E-01 0.518E-02 DAV: 3 -0.675928461898E+03 0.16312E-04 -0.60047E-05 5504 0.165E-02 0.313E-02 DAV: 4 -0.675928460636E+03 0.12622E-05 -0.46578E-05 4992 0.146E-02 18 F= -.67592846E+03 E0= -.67592846E+03 d E =-.857410E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675927681181E+03 0.78072E-03 -0.14106E+00 4224 0.223E+00 0.367E-01 DAV: 2 -0.675930401572E+03 -0.27204E-02 -0.31036E-02 5152 0.316E-01 0.156E-01 DAV: 3 -0.675930244774E+03 0.15680E-03 -0.52853E-04 5472 0.495E-02 0.944E-02 DAV: 4 -0.675930232684E+03 0.12090E-04 -0.43484E-04 5184 0.446E-02 0.258E-02 DAV: 5 -0.675930233265E+03 -0.58183E-06 -0.70268E-05 5184 0.190E-02 19 F= -.67593023E+03 E0= -.67593023E+03 d E =-.263004E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675919897667E+03 0.10335E-01 -0.56350E+00 4224 0.445E+00 0.732E-01 DAV: 2 -0.675930798004E+03 -0.10900E-01 -0.12381E-01 5152 0.632E-01 0.310E-01 DAV: 3 -0.675930168166E+03 0.62984E-03 -0.20943E-03 5504 0.985E-02 0.188E-01 DAV: 4 -0.675930119460E+03 0.48706E-04 -0.17102E-03 5184 0.882E-02 0.509E-02 DAV: 5 -0.675930124861E+03 -0.54005E-05 -0.27616E-04 5216 0.376E-02 0.296E-02 DAV: 6 -0.675930126682E+03 -0.18214E-05 -0.59709E-05 5088 0.146E-02 20 F= -.67593013E+03 E0= -.67593013E+03 d E =-.252346E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675927978114E+03 0.21467E-02 -0.15809E+00 4224 0.236E+00 0.383E-01 DAV: 2 -0.675930986444E+03 -0.30083E-02 -0.34570E-02 5120 0.334E-01 0.165E-01 DAV: 3 -0.675930796818E+03 0.18963E-03 -0.58585E-04 5472 0.521E-02 0.100E-01 DAV: 4 -0.675930777828E+03 0.18990E-04 -0.50188E-04 5184 0.477E-02 0.271E-02 DAV: 5 -0.675930780486E+03 -0.26579E-05 -0.80591E-05 5184 0.202E-02 21 F= -.67593078E+03 E0= -.67593078E+03 d E =-.317726E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675931513929E+03 -0.73610E-03 -0.55087E-02 4352 0.442E-01 0.879E-02 DAV: 2 -0.675931605228E+03 -0.91298E-04 -0.11753E-03 5344 0.626E-02 0.388E-02 DAV: 3 -0.675931595445E+03 0.97829E-05 -0.30960E-05 5056 0.120E-02 22 F= -.67593160E+03 E0= -.67593160E+03 d E =-.814959E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675932215830E+03 -0.61060E-03 -0.49424E-01 4224 0.132E+00 0.270E-01 DAV: 2 -0.675933047703E+03 -0.83187E-03 -0.10693E-02 5344 0.188E-01 0.118E-01 DAV: 3 -0.675932974401E+03 0.73302E-04 -0.29637E-04 5504 0.373E-02 0.683E-02 DAV: 4 -0.675932968256E+03 0.61448E-05 -0.11748E-04 5312 0.230E-02 0.213E-02 DAV: 5 -0.675932972178E+03 -0.39222E-05 -0.18787E-05 4160 0.103E-02 23 F= -.67593297E+03 E0= -.67593297E+03 d E =-.219169E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675932968979E+03 -0.72252E-06 -0.63700E-02 4352 0.475E-01 0.987E-02 DAV: 2 -0.675933083602E+03 -0.11462E-03 -0.14221E-03 5344 0.683E-02 0.408E-02 DAV: 3 -0.675933075290E+03 0.83115E-05 -0.35213E-05 5248 0.129E-02 24 F= -.67593308E+03 E0= -.67593308E+03 d E =-.229480E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675934138452E+03 -0.10549E-02 -0.17313E-01 4288 0.785E-01 0.175E-01 DAV: 2 -0.675934323131E+03 -0.18468E-03 -0.38090E-03 5184 0.113E-01 0.645E-02 DAV: 3 -0.675934280239E+03 0.42892E-04 -0.12404E-04 5504 0.230E-02 0.348E-02 DAV: 4 -0.675934274841E+03 0.53983E-05 -0.47057E-05 5248 0.144E-02 25 F= -.67593427E+03 E0= -.67593427E+03 d E =-.119955E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675934751077E+03 -0.47084E-03 -0.69799E-01 4224 0.158E+00 0.349E-01 DAV: 2 -0.675935545290E+03 -0.79421E-03 -0.15647E-02 5184 0.229E-01 0.128E-01 DAV: 3 -0.675935371329E+03 0.17396E-03 -0.48019E-04 5504 0.456E-02 0.686E-02 DAV: 4 -0.675935342797E+03 0.28532E-04 -0.19173E-04 5440 0.289E-02 0.245E-02 DAV: 5 -0.675935348768E+03 -0.59708E-05 -0.26833E-05 4864 0.131E-02 26 F= -.67593535E+03 E0= -.67593535E+03 d E =-.227348E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675936395481E+03 -0.10527E-02 -0.26426E-01 4224 0.968E-01 0.233E-01 DAV: 2 -0.675936741424E+03 -0.34594E-03 -0.65004E-03 5344 0.149E-01 0.116E-01 DAV: 3 -0.675936661418E+03 0.80006E-04 -0.19189E-04 5536 0.314E-02 0.611E-02 DAV: 4 -0.675936646101E+03 0.15317E-04 -0.89305E-05 5376 0.210E-02 0.181E-02 DAV: 5 -0.675936648132E+03 -0.20319E-05 -0.13989E-05 3520 0.959E-03 27 F= -.67593665E+03 E0= -.67593665E+03 d E =-.129936E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675936813776E+03 -0.16767E-03 -0.19943E-01 4224 0.841E-01 0.202E-01 DAV: 2 -0.675937074632E+03 -0.26086E-03 -0.49123E-03 5344 0.129E-01 0.997E-02 DAV: 3 -0.675937012281E+03 0.62351E-04 -0.14193E-04 5536 0.272E-02 0.523E-02 DAV: 4 -0.675936999278E+03 0.13003E-04 -0.67006E-05 5376 0.186E-02 0.156E-02 DAV: 5 -0.675937000793E+03 -0.15152E-05 -0.11392E-05 3456 0.883E-03 28 F= -.67593700E+03 E0= -.67593700E+03 d E =-.165203E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675938011026E+03 -0.10117E-02 -0.18433E-01 4224 0.811E-01 0.162E-01 DAV: 2 -0.675938180526E+03 -0.16950E-03 -0.41013E-03 5248 0.118E-01 0.804E-02 DAV: 3 -0.675938120846E+03 0.59681E-04 -0.12841E-04 5440 0.246E-02 0.445E-02 DAV: 4 -0.675938105351E+03 0.15494E-04 -0.64379E-05 5312 0.183E-02 0.133E-02 DAV: 5 -0.675938107108E+03 -0.17567E-05 -0.10141E-05 3232 0.748E-03 29 F= -.67593811E+03 E0= -.67593811E+03 d E =-.110632E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675938842769E+03 -0.73742E-03 -0.16580E+00 4224 0.243E+00 0.487E-01 DAV: 2 -0.675940354941E+03 -0.15122E-02 -0.36915E-02 5248 0.354E-01 0.242E-01 DAV: 3 -0.675939815936E+03 0.53901E-03 -0.11678E-03 5472 0.741E-02 0.134E-01 DAV: 4 -0.675939664425E+03 0.15151E-03 -0.58319E-04 5312 0.556E-02 0.399E-02 DAV: 5 -0.675939671746E+03 -0.73211E-05 -0.10755E-04 5536 0.224E-02 0.243E-02 DAV: 6 -0.675939672730E+03 -0.98393E-06 -0.16594E-05 3424 0.865E-03 30 F= -.67593967E+03 E0= -.67593967E+03 d E =-.267194E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675940494127E+03 -0.82238E-03 -0.39551E-01 4224 0.119E+00 0.323E-01 DAV: 2 -0.675941075283E+03 -0.58116E-03 -0.95261E-03 5376 0.180E-01 0.158E-01 DAV: 3 -0.675940974977E+03 0.10031E-03 -0.34903E-04 5536 0.394E-02 0.878E-02 DAV: 4 -0.675940960195E+03 0.14782E-04 -0.11373E-04 5568 0.238E-02 0.259E-02 DAV: 5 -0.675940962689E+03 -0.24945E-05 -0.15909E-05 3872 0.107E-02 31 F= -.67594096E+03 E0= -.67594096E+03 d E =-.128996E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675940993197E+03 -0.33003E-04 -0.40180E-02 4288 0.380E-01 0.103E-01 DAV: 2 -0.675941055210E+03 -0.62013E-04 -0.97876E-04 5376 0.573E-02 0.497E-02 DAV: 3 -0.675941045153E+03 0.10057E-04 -0.32218E-05 5024 0.121E-02 0.279E-02 DAV: 4 -0.675941044009E+03 0.11441E-05 -0.10170E-05 3296 0.758E-03 32 F= -.67594104E+03 E0= -.67594104E+03 d E =-.137128E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675941486314E+03 -0.44116E-03 -0.13177E-01 4224 0.687E-01 0.158E-01 DAV: 2 -0.675941729508E+03 -0.24319E-03 -0.30225E-03 5248 0.100E-01 0.825E-02 DAV: 3 -0.675941702273E+03 0.27234E-04 -0.69833E-05 5312 0.191E-02 0.471E-02 DAV: 4 -0.675941697698E+03 0.45757E-05 -0.45888E-05 5216 0.148E-02 33 F= -.67594170E+03 E0= -.67594170E+03 d E =-.653688E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675941755091E+03 -0.52818E-04 -0.10316E-01 4224 0.608E-01 0.141E-01 DAV: 2 -0.675941948969E+03 -0.19388E-03 -0.23970E-03 5312 0.892E-02 0.745E-02 DAV: 3 -0.675941926968E+03 0.22001E-04 -0.54663E-05 5280 0.172E-02 0.424E-02 DAV: 4 -0.675941923027E+03 0.39414E-05 -0.37079E-05 5056 0.135E-02 34 F= -.67594192E+03 E0= -.67594192E+03 d E =-.879017E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675942515388E+03 -0.58842E-03 -0.11973E-01 4224 0.657E-01 0.116E-01 DAV: 2 -0.675942690071E+03 -0.17468E-03 -0.25944E-03 5312 0.926E-02 0.634E-02 DAV: 3 -0.675942668983E+03 0.21088E-04 -0.72423E-05 5216 0.187E-02 0.365E-02 DAV: 4 -0.675942665799E+03 0.31841E-05 -0.31238E-05 4800 0.128E-02 35 F= -.67594267E+03 E0= -.67594267E+03 d E =-.742772E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675942933237E+03 -0.26425E-03 -0.56385E-02 4288 0.451E-01 0.807E-02 DAV: 2 -0.675943015835E+03 -0.82598E-04 -0.12239E-03 5312 0.636E-02 0.439E-02 DAV: 3 -0.675943005481E+03 0.10354E-04 -0.33145E-05 4864 0.129E-02 0.254E-02 DAV: 4 -0.675943003079E+03 0.24017E-05 -0.14561E-05 3712 0.921E-03 36 F= -.67594300E+03 E0= -.67594300E+03 d E =-.108005E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675942993438E+03 0.12043E-04 -0.22484E-01 4224 0.901E-01 0.160E-01 DAV: 2 -0.675943320042E+03 -0.32660E-03 -0.48563E-03 5312 0.127E-01 0.875E-02 DAV: 3 -0.675943278811E+03 0.41231E-04 -0.13543E-04 5408 0.254E-02 0.503E-02 DAV: 4 -0.675943271778E+03 0.70332E-05 -0.59246E-05 5216 0.178E-02 37 F= -.67594327E+03 E0= -.67594327E+03 d E =-.134875E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.675943448927E+03 -0.17012E-03 -0.21384E-01 4224 0.871E-01 0.153E-01 DAV: 2 -0.675943807158E+03 -0.35823E-03 -0.48835E-03 5312 0.127E-01 0.705E-02 DAV: 3 -0.675943770509E+03 0.36649E-04 -0.11835E-04 5408 0.240E-02 0.397E-02 DAV: 4 -0.675943765280E+03 0.52292E-05 -0.49675E-05 5152 0.148E-02 38 F= -.67594377E+03 E0= -.67594377E+03 d E =-.493502E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675943784752E+03 -0.14243E-04 -0.53650E-03 4608 0.138E-01 0.262E-02 DAV: 2 -0.675943793488E+03 -0.87358E-05 -0.12314E-04 5344 0.201E-02 0.122E-02 DAV: 3 -0.675943792392E+03 0.10958E-05 -0.31007E-06 2848 0.437E-03 39 F= -.67594379E+03 E0= -.67594379E+03 d E =-.520614E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675943777656E+03 0.15832E-04 -0.21259E-02 4288 0.274E-01 0.489E-02 DAV: 2 -0.675943812056E+03 -0.34399E-04 -0.47535E-04 5312 0.396E-02 0.229E-02 DAV: 3 -0.675943808300E+03 0.37554E-05 -0.10833E-05 3456 0.761E-03 40 F= -.67594381E+03 E0= -.67594381E+03 d E =-.536522E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675944050689E+03 -0.23863E-03 -0.21396E-01 4224 0.874E-01 0.149E-01 DAV: 2 -0.675944423336E+03 -0.37265E-03 -0.46549E-03 5184 0.123E-01 0.815E-02 DAV: 3 -0.675944392211E+03 0.31126E-04 -0.94368E-05 5376 0.221E-02 0.478E-02 DAV: 4 -0.675944386702E+03 0.55089E-05 -0.63967E-05 5216 0.178E-02 41 F= -.67594439E+03 E0= -.67594439E+03 d E =-.578401E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675944409675E+03 -0.17465E-04 -0.87103E-02 4224 0.558E-01 0.975E-02 DAV: 2 -0.675944565498E+03 -0.15582E-03 -0.19354E-03 5184 0.795E-02 0.533E-02 DAV: 3 -0.675944553328E+03 0.12170E-04 -0.38209E-05 5120 0.144E-02 0.311E-02 DAV: 4 -0.675944550874E+03 0.24546E-05 -0.26616E-05 4288 0.119E-02 42 F= -.67594455E+03 E0= -.67594455E+03 d E =-.742574E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675944850631E+03 -0.29730E-03 -0.22482E-01 4224 0.899E-01 0.199E-01 DAV: 2 -0.675945266791E+03 -0.41616E-03 -0.51862E-03 5312 0.129E-01 0.741E-02 DAV: 3 -0.675945223725E+03 0.43066E-04 -0.11929E-04 5440 0.248E-02 0.398E-02 DAV: 4 -0.675945213500E+03 0.10225E-04 -0.58936E-05 5248 0.176E-02 0.117E-02 DAV: 5 -0.675945213274E+03 0.22573E-06 -0.10154E-05 3264 0.789E-03 43 F= -.67594521E+03 E0= -.67594521E+03 d E =-.662400E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675945219813E+03 -0.63134E-05 -0.69529E-03 4608 0.158E-01 0.366E-02 DAV: 2 -0.675945233253E+03 -0.13440E-04 -0.16445E-04 5280 0.229E-02 0.131E-02 DAV: 3 -0.675945231855E+03 0.13981E-05 -0.31017E-06 3200 0.444E-03 44 F= -.67594523E+03 E0= -.67594523E+03 d E =-.680981E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675945287212E+03 -0.53960E-04 -0.25689E-01 4224 0.954E-01 0.141E-01 DAV: 2 -0.675945751414E+03 -0.46420E-03 -0.56596E-03 5184 0.136E-01 0.714E-02 DAV: 3 -0.675945712762E+03 0.38652E-04 -0.11205E-04 5408 0.234E-02 0.416E-02 DAV: 4 -0.675945703057E+03 0.97049E-05 -0.65576E-05 5216 0.178E-02 45 F= -.67594570E+03 E0= -.67594570E+03 d E =-.471202E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675945712078E+03 0.68342E-06 -0.51862E-03 4608 0.135E-01 0.232E-02 DAV: 2 -0.675945720939E+03 -0.88608E-05 -0.11901E-04 5152 0.199E-02 0.116E-02 DAV: 3 -0.675945720049E+03 0.89023E-06 -0.23929E-06 2880 0.398E-03 46 F= -.67594572E+03 E0= -.67594572E+03 d E =-.488194E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675945687013E+03 0.33926E-04 -0.20405E-02 4224 0.269E-01 0.402E-02 DAV: 2 -0.675945722451E+03 -0.35438E-04 -0.44439E-04 5184 0.384E-02 0.206E-02 DAV: 3 -0.675945719252E+03 0.31990E-05 -0.86050E-06 3328 0.689E-03 47 F= -.67594572E+03 E0= -.67594572E+03 d E =-.487397E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675945690737E+03 0.31714E-04 -0.20707E-01 4224 0.858E-01 0.127E-01 DAV: 2 -0.675946046637E+03 -0.35590E-03 -0.44181E-03 5280 0.119E-01 0.632E-02 DAV: 3 -0.675946011241E+03 0.35396E-04 -0.11062E-04 5568 0.239E-02 0.363E-02 DAV: 4 -0.675946004443E+03 0.67976E-05 -0.45422E-05 5184 0.155E-02 48 F= -.67594600E+03 E0= -.67594600E+03 d E =-.285191E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946001107E+03 0.10134E-04 -0.19708E-03 4544 0.843E-02 0.107E-02 DAV: 2 -0.675946005136E+03 -0.40288E-05 -0.45789E-05 4992 0.123E-02 49 F= -.67594601E+03 E0= -.67594601E+03 d E =-.285884E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946158245E+03 -0.15714E-03 -0.39154E-02 4288 0.374E-01 0.843E-02 DAV: 2 -0.675946225653E+03 -0.67409E-04 -0.91678E-04 5376 0.550E-02 0.371E-02 DAV: 3 -0.675946215545E+03 0.10108E-04 -0.27407E-05 4864 0.121E-02 0.206E-02 DAV: 4 -0.675946212124E+03 0.34209E-05 -0.11997E-05 3456 0.861E-03 50 F= -.67594621E+03 E0= -.67594621E+03 d E =-.206988E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946213223E+03 0.23216E-05 -0.40297E-04 4608 0.379E-02 0.949E-03 DAV: 2 -0.675946213771E+03 -0.54798E-06 -0.10180E-05 3712 0.634E-03 51 F= -.67594621E+03 E0= -.67594621E+03 d E =-.208636E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946360991E+03 -0.14777E-03 -0.29123E-02 4288 0.317E-01 0.659E-02 DAV: 2 -0.675946413188E+03 -0.52197E-04 -0.62403E-04 5088 0.440E-02 0.252E-02 DAV: 3 -0.675946407669E+03 0.55191E-05 -0.12608E-05 3744 0.847E-03 52 F= -.67594641E+03 E0= -.67594641E+03 d E =-.193897E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946380850E+03 0.32338E-04 -0.91306E-02 4224 0.561E-01 0.117E-01 DAV: 2 -0.675946536921E+03 -0.15607E-03 -0.19160E-03 5152 0.775E-02 0.446E-02 DAV: 3 -0.675946520868E+03 0.16053E-04 -0.45123E-05 5280 0.150E-02 0.235E-02 DAV: 4 -0.675946518226E+03 0.26419E-05 -0.28654E-05 4608 0.113E-02 53 F= -.67594652E+03 E0= -.67594652E+03 d E =-.304455E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.675946589164E+03 -0.68296E-04 -0.41518E-02 4224 0.377E-01 0.839E-02 DAV: 2 -0.675946660763E+03 -0.71599E-04 -0.95771E-04 5184 0.541E-02 0.345E-02 DAV: 3 -0.675946651078E+03 0.96855E-05 -0.27089E-05 5120 0.117E-02 54 F= -.67594665E+03 E0= -.67594665E+03 d E =-.132852E-03