iterations/neb0_image06_iter5_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 0.145103993981E+04 0.14510E+04 -0.44222E+04 330 0.697E+02
DAV: 2 0.227881120446E+03 -0.12232E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.365193449081E+03 -0.59307E+03 -0.58976E+03 354 0.114E+02
DAV: 4 -0.433063360903E+03 -0.67870E+02 -0.67621E+02 309 0.490E+01
DAV: 5 -0.434555705334E+03 -0.14923E+01 -0.14897E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388779909523E+03 0.45776E+02 -0.14814E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385343298293E+03 0.34366E+01 -0.13300E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383906240142E+03 0.14371E+01 -0.25542E+00 345 0.394E+00 0.439E+00
DAV: 9 -0.383345942776E+03 0.56030E+00 -0.93235E-01 336 0.237E+00 0.137E+00
DAV: 10 -0.383288492822E+03 0.57450E-01 -0.66391E-01 336 0.127E+00 0.867E-01
DAV: 11 -0.383256566901E+03 0.31926E-01 -0.85497E-02 327 0.581E-01 0.798E-01
DAV: 12 -0.383241362605E+03 0.15204E-01 -0.12341E-01 381 0.482E-01 0.702E-01
DAV: 13 -0.383238223861E+03 0.31387E-02 -0.26752E-01 327 0.678E-01 0.112E+00
DAV: 14 -0.383207796002E+03 0.30428E-01 -0.11712E-01 354 0.560E-01 0.580E-01
DAV: 15 -0.383207151662E+03 0.64434E-03 -0.23829E-02 318 0.348E-01 0.341E-01
DAV: 16 -0.383207686096E+03 -0.53443E-03 -0.86217E-03 300 0.337E-01 0.199E-01
DAV: 17 -0.383214885688E+03 -0.71996E-02 -0.66076E-03 318 0.231E-01 0.172E-01
DAV: 18 -0.383220233098E+03 -0.53474E-02 -0.23491E-03 309 0.128E-01 0.110E-01
DAV: 19 -0.383231139722E+03 -0.10907E-01 -0.22813E-03 300 0.137E-01 0.796E-02
DAV: 20 -0.383239415162E+03 -0.82754E-02 -0.14029E-03 309 0.110E-01 0.922E-02
DAV: 21 -0.383246770786E+03 -0.73556E-02 -0.13866E-03 345 0.117E-01 0.516E-02
DAV: 22 -0.383249615081E+03 -0.28443E-02 -0.28753E-04 309 0.426E-02 0.414E-02
DAV: 23 -0.383252863962E+03 -0.32489E-02 -0.18437E-04 318 0.316E-02 0.228E-02
DAV: 24 -0.383255888112E+03 -0.30241E-02 -0.17604E-04 309 0.300E-02 0.276E-02
DAV: 25 -0.383257051260E+03 -0.11631E-02 -0.38134E-05 291 0.135E-02 0.164E-02
DAV: 26 -0.383258162899E+03 -0.11116E-02 -0.65069E-05 300 0.171E-02 0.118E-02
DAV: 27 -0.383258589457E+03 -0.42656E-03 -0.11486E-05 237 0.939E-03 0.520E-03
DAV: 28 -0.383258818127E+03 -0.22867E-03 -0.18299E-05 246 0.106E-02 0.602E-03
DAV: 29 -0.383258911056E+03 -0.92928E-04 -0.26204E-06 228 0.615E-03 0.264E-03
DAV: 30 -0.383259015653E+03 -0.10460E-03 -0.37187E-06 201 0.446E-03 0.247E-03
DAV: 31 -0.383259074388E+03 -0.58735E-04 -0.19067E-06 219 0.310E-03 0.269E-03
DAV: 32 -0.383259098109E+03 -0.23721E-04 -0.11732E-06 228 0.301E-03 0.191E-03
DAV: 33 -0.383259112751E+03 -0.14642E-04 -0.47272E-07 210 0.153E-03 0.133E-03
DAV: 34 -0.383259121735E+03 -0.89837E-05 -0.39491E-07 219 0.164E-03
1 F= -.38325912E+03 E0= -.38327584E+03 d E =0.501411E-01