iterations/neb0_image08_iter30_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144931073213E+04 0.14493E+04 -0.44235E+04 330 0.697E+02
DAV: 2 0.228005116262E+03 -0.12213E+04 -0.11456E+04 426 0.163E+02
DAV: 3 -0.360557612734E+03 -0.58856E+03 -0.58488E+03 345 0.114E+02
DAV: 4 -0.432623204099E+03 -0.72066E+02 -0.71784E+02 318 0.512E+01
DAV: 5 -0.434271623654E+03 -0.16484E+01 -0.16458E+01 318 0.796E+00 0.425E+01
DAV: 6 -0.388654050060E+03 0.45618E+02 -0.14756E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385243826480E+03 0.34102E+01 -0.13051E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383779981419E+03 0.14638E+01 -0.18751E+00 336 0.381E+00 0.432E+00
DAV: 9 -0.383258168721E+03 0.52181E+00 -0.16118E+00 336 0.228E+00 0.114E+00
DAV: 10 -0.383182196322E+03 0.75972E-01 -0.15541E-01 336 0.100E+00 0.893E-01
DAV: 11 -0.383143452987E+03 0.38743E-01 -0.71164E-02 336 0.658E-01 0.700E-01
DAV: 12 -0.383136604215E+03 0.68488E-02 -0.25058E-01 381 0.641E-01 0.106E+00
DAV: 13 -0.383110906875E+03 0.25697E-01 -0.13950E-01 372 0.548E-01 0.431E-01
DAV: 14 -0.383104708040E+03 0.61988E-02 -0.22158E-02 318 0.396E-01 0.441E-01
DAV: 15 -0.383105396373E+03 -0.68833E-03 -0.12958E-02 327 0.319E-01 0.659E-01
DAV: 16 -0.383103101374E+03 0.22950E-02 -0.47948E-02 327 0.282E-01 0.237E-01
DAV: 17 -0.383110812154E+03 -0.77108E-02 -0.61317E-03 300 0.234E-01 0.137E-01
DAV: 18 -0.383122119252E+03 -0.11307E-01 -0.36546E-03 291 0.194E-01 0.154E-01
DAV: 19 -0.383128954596E+03 -0.68353E-02 -0.28639E-03 336 0.139E-01 0.949E-02
DAV: 20 -0.383137648244E+03 -0.86936E-02 -0.11452E-03 309 0.976E-02 0.978E-02
DAV: 21 -0.383143499077E+03 -0.58508E-02 -0.63561E-04 318 0.558E-02 0.383E-02
DAV: 22 -0.383146742656E+03 -0.32436E-02 -0.22441E-04 327 0.363E-02 0.196E-02
DAV: 23 -0.383149987779E+03 -0.32451E-02 -0.16083E-04 282 0.262E-02 0.222E-02
DAV: 24 -0.383152070659E+03 -0.20829E-02 -0.97447E-05 318 0.186E-02 0.205E-02
DAV: 25 -0.383153242007E+03 -0.11713E-02 -0.69243E-05 291 0.165E-02 0.949E-03
DAV: 26 -0.383153557455E+03 -0.31545E-03 -0.82983E-06 237 0.708E-03 0.654E-03
DAV: 27 -0.383153999889E+03 -0.44243E-03 -0.20336E-05 237 0.883E-03 0.580E-03
DAV: 28 -0.383154174152E+03 -0.17426E-03 -0.62134E-06 228 0.573E-03 0.509E-03
DAV: 29 -0.383154218754E+03 -0.44602E-04 -0.17970E-06 237 0.321E-03 0.437E-03
DAV: 30 -0.383154289716E+03 -0.70962E-04 -0.22636E-06 192 0.357E-03 0.334E-03
DAV: 31 -0.383154326635E+03 -0.36919E-04 -0.19265E-06 219 0.274E-03 0.110E-03
DAV: 32 -0.383154341652E+03 -0.15017E-04 -0.72864E-07 219 0.190E-03 0.122E-03
DAV: 33 -0.383154351020E+03 -0.93679E-05 -0.41738E-07 210 0.127E-03
1 F= -.38315435E+03 E0= -.38317152E+03 d E =0.515110E-01