iterations/neb0_image07_iter8_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150857995500E+04 0.15086E+04 -0.43571E+04 322 0.697E+02
DAV: 2 0.249669443154E+03 -0.12589E+04 -0.11840E+04 428 0.164E+02
DAV: 3 -0.356043862055E+03 -0.60571E+03 -0.60177E+03 348 0.117E+02
DAV: 4 -0.433056837725E+03 -0.77013E+02 -0.76692E+02 316 0.531E+01
DAV: 5 -0.434863327482E+03 -0.18065E+01 -0.18035E+01 332 0.816E+00 0.427E+01
DAV: 6 -0.388766679074E+03 0.46097E+02 -0.14909E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.385251890765E+03 0.35148E+01 -0.13025E+01 340 0.778E+00 0.104E+01
DAV: 8 -0.383820002659E+03 0.14319E+01 -0.22742E+00 324 0.391E+00 0.426E+00
DAV: 9 -0.383261856017E+03 0.55815E+00 -0.61955E-01 332 0.193E+00 0.970E-01
DAV: 10 -0.383203794506E+03 0.58062E-01 -0.14550E-01 348 0.965E-01 0.736E-01
DAV: 11 -0.383185704519E+03 0.18090E-01 -0.29372E-02 364 0.498E-01 0.607E-01
DAV: 12 -0.383176223960E+03 0.94806E-02 -0.52190E-02 308 0.325E-01 0.452E-01
DAV: 13 -0.383166506595E+03 0.97174E-02 -0.58871E-02 308 0.398E-01 0.462E-01
DAV: 14 -0.383164967688E+03 0.15389E-02 -0.31364E-02 340 0.262E-01 0.206E-01
DAV: 15 -0.383167948444E+03 -0.29808E-02 -0.10507E-02 292 0.249E-01 0.197E-01
DAV: 16 -0.383181243844E+03 -0.13295E-01 -0.74062E-03 300 0.216E-01 0.138E-01
DAV: 17 -0.383193002405E+03 -0.11759E-01 -0.34328E-03 284 0.182E-01 0.978E-02
DAV: 18 -0.383200437457E+03 -0.74351E-02 -0.23622E-03 316 0.118E-01 0.653E-02
DAV: 19 -0.383204750810E+03 -0.43134E-02 -0.60321E-04 364 0.639E-02 0.638E-02
DAV: 20 -0.383207082680E+03 -0.23319E-02 -0.24151E-04 340 0.440E-02 0.601E-02
DAV: 21 -0.383206376892E+03 0.70579E-03 -0.86583E-05 292 0.260E-02 0.555E-02
DAV: 22 -0.383207078048E+03 -0.70116E-03 -0.88763E-05 292 0.216E-02 0.471E-02
DAV: 23 -0.383211868686E+03 -0.47906E-02 -0.73561E-04 388 0.841E-02 0.413E-02
DAV: 24 -0.383213953161E+03 -0.20845E-02 -0.63190E-04 332 0.579E-02 0.387E-02
DAV: 25 -0.383216341151E+03 -0.23880E-02 -0.17739E-04 348 0.454E-02 0.374E-02
DAV: 26 -0.383219043882E+03 -0.27027E-02 -0.29431E-04 364 0.589E-02 0.396E-02
DAV: 27 -0.383220762943E+03 -0.17191E-02 -0.44159E-04 388 0.748E-02 0.397E-02
DAV: 28 -0.383220934799E+03 -0.17186E-03 -0.27689E-04 316 0.404E-02 0.526E-02
DAV: 29 -0.383220951064E+03 -0.16265E-04 -0.18999E-05 252 0.957E-03 0.577E-02
DAV: 30 -0.383221026334E+03 -0.75270E-04 -0.23990E-05 244 0.241E-02 0.567E-02
DAV: 31 -0.383221407405E+03 -0.38107E-03 -0.10514E-03 388 0.125E-01 0.491E-02
DAV: 32 -0.383221613747E+03 -0.20634E-03 -0.65272E-04 308 0.475E-02 0.465E-02
DAV: 33 -0.383221713656E+03 -0.99909E-04 -0.41412E-05 284 0.181E-02 0.417E-02
DAV: 34 -0.383221722726E+03 -0.90705E-05 -0.19443E-05 284 0.199E-02
1 F= -.38322172E+03 E0= -.38323676E+03 d E =0.451150E-01