N E dE d eps ncg rms rms(c)
DAV: 1 0.102084966518E+03 0.10208E+03 -0.61632E+03 304 0.858E+02
DAV: 2 -0.118971280223E+02 -0.11398E+03 -0.10468E+03 448 0.221E+02
DAV: 3 -0.233312470581E+02 -0.11434E+02 -0.11306E+02 368 0.825E+01
DAV: 4 -0.234780956238E+02 -0.14685E+00 -0.14642E+00 308 0.109E+01
DAV: 5 -0.234801493618E+02 -0.20537E-02 -0.20536E-02 332 0.121E+00 0.835E+00
DAV: 6 -0.222981761936E+02 0.11820E+01 -0.41863E+00 332 0.208E+01 0.427E+00
DAV: 7 -0.221599370760E+02 0.13824E+00 -0.45611E-01 324 0.705E+00 0.225E+00
DAV: 8 -0.221147464271E+02 0.45191E-01 -0.13782E-01 332 0.291E+00 0.425E-01
DAV: 9 -0.221116053029E+02 0.31411E-02 -0.60257E-03 316 0.857E-01 0.170E-01
DAV: 10 -0.221126108054E+02 -0.10055E-02 -0.19723E-03 312 0.389E-01 0.502E-02
DAV: 11 -0.221137894692E+02 -0.11787E-02 -0.42455E-04 304 0.157E-01 0.237E-02
DAV: 12 -0.221139089395E+02 -0.11947E-03 -0.21732E-05 284 0.365E-02 0.137E-02
DAV: 13 -0.221140101846E+02 -0.10125E-03 -0.41207E-05 300 0.474E-02 0.614E-03
DAV: 14 -0.221140095792E+02 0.60539E-06 -0.13052E-06 240 0.107E-02
1 F= -.22114010E+02 E0= -.22122819E+02 d E =-.221140E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.102008891312E+02 0.11913E+02 -0.13338E+03 288 0.359E+02 0.121E+01
DAV: 2 -0.128894764789E+02 -0.26886E+01 -0.40225E+01 308 0.655E+01 0.736E+00
DAV: 3 -0.115774494725E+02 0.13120E+01 -0.19947E+00 352 0.140E+01 0.361E+00
DAV: 4 -0.112787372242E+02 0.29871E+00 -0.19356E+00 364 0.127E+01 0.136E+00
DAV: 5 -0.112711445090E+02 0.75927E-02 -0.14047E-01 344 0.356E+00 0.297E-01
DAV: 6 -0.112715739477E+02 -0.42944E-03 -0.51038E-03 336 0.676E-01 0.165E-01
DAV: 7 -0.112712432690E+02 0.33068E-03 -0.47905E-03 324 0.637E-01 0.725E-02
DAV: 8 -0.112711424336E+02 0.10084E-03 -0.65385E-04 320 0.243E-01 0.216E-02
DAV: 9 -0.112711362389E+02 0.61947E-05 -0.33679E-05 324 0.545E-02
2 F= -.11271136E+02 E0= -.11279951E+02 d E =0.108429E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.235426518481E+02 -0.12272E+02 -0.98076E+02 296 0.289E+02 0.123E+01
DAV: 2 -0.231549378781E+02 0.38771E+00 -0.33251E+01 364 0.527E+01 0.587E+00
DAV: 3 -0.226169191722E+02 0.53802E+00 -0.20558E+00 348 0.131E+01 0.308E+00
DAV: 4 -0.225773026696E+02 0.39617E-01 -0.28495E-01 344 0.501E+00 0.161E+00
DAV: 5 -0.225766139666E+02 0.68870E-03 -0.57883E-02 312 0.231E+00 0.503E-01
DAV: 6 -0.225744913493E+02 0.21226E-02 -0.11789E-02 324 0.986E-01 0.542E-02
DAV: 7 -0.225745209146E+02 -0.29565E-04 -0.56147E-04 332 0.198E-01 0.293E-02
DAV: 8 -0.225744953282E+02 0.25586E-04 -0.45590E-05 348 0.623E-02 0.641E-03
DAV: 9 -0.225744893325E+02 0.59957E-05 -0.37934E-06 220 0.190E-02
3 F= -.22574489E+02 E0= -.22583332E+02 d E =-.460480E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.227875834817E+02 -0.21309E+00 -0.63688E+00 288 0.251E+01 0.858E-01
DAV: 2 -0.227920931197E+02 -0.45096E-02 -0.14414E-01 356 0.338E+00 0.368E-01
DAV: 3 -0.227903019032E+02 0.17912E-02 -0.31926E-03 344 0.616E-01 0.192E-01
DAV: 4 -0.227902013526E+02 0.10055E-03 -0.18082E-03 336 0.382E-01 0.725E-02
DAV: 5 -0.227901873947E+02 0.13958E-04 -0.67442E-05 296 0.775E-02 0.299E-02
DAV: 6 -0.227901764431E+02 0.10952E-04 -0.61524E-06 204 0.243E-02 0.371E-03
DAV: 7 -0.227901742497E+02 0.21934E-05 -0.22385E-06 208 0.146E-02
4 F= -.22790174E+02 E0= -.22799036E+02 d E =-.676165E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.229264445282E+02 -0.13627E+00 -0.25158E+01 288 0.502E+01 0.176E+00
DAV: 2 -0.229417368175E+02 -0.15292E-01 -0.56452E-01 344 0.681E+00 0.780E-01
DAV: 3 -0.229328047353E+02 0.89321E-02 -0.17754E-02 344 0.138E+00 0.384E-01
DAV: 4 -0.229325100922E+02 0.29464E-03 -0.68324E-03 336 0.750E-01 0.154E-01
DAV: 5 -0.229324245698E+02 0.85522E-04 -0.36590E-04 300 0.179E-01 0.499E-02
DAV: 6 -0.229324116919E+02 0.12878E-04 -0.14223E-05 196 0.389E-02 0.691E-03
DAV: 7 -0.229324091873E+02 0.25046E-05 -0.58575E-06 208 0.241E-02
5 F= -.22932409E+02 E0= -.22941302E+02 d E =-.818400E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.229389579028E+02 -0.65462E-02 -0.91188E-01 288 0.948E+00 0.350E-01
DAV: 2 -0.229392090797E+02 -0.25118E-03 -0.21120E-02 344 0.131E+00 0.154E-01
DAV: 3 -0.229388720133E+02 0.33707E-03 -0.61387E-04 336 0.263E-01 0.798E-02
DAV: 4 -0.229388529212E+02 0.19092E-04 -0.23779E-04 340 0.142E-01 0.325E-02
DAV: 5 -0.229388544573E+02 -0.15361E-05 -0.98239E-06 200 0.320E-02
6 F= -.22938854E+02 E0= -.22947742E+02 d E =-.824845E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.229389936945E+02 -0.14077E-03 -0.14544E-02 288 0.120E+00 0.436E-02
DAV: 2 -0.229390012785E+02 -0.75840E-05 -0.33864E-04 348 0.167E-01 0.191E-02
DAV: 3 -0.229389954658E+02 0.58127E-05 -0.90222E-06 208 0.335E-02
7 F= -.22938995E+02 E0= -.22947884E+02 d E =-.824986E+00