iterations/neb0_image06_iter26_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 0.162027794039E+04 0.16203E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.300864301770E+03 -0.13194E+04 -0.12411E+04 420 0.168E+02
DAV: 3 -0.358002704768E+03 -0.65887E+03 -0.65483E+03 364 0.123E+02
DAV: 4 -0.433205946500E+03 -0.75203E+02 -0.74929E+02 308 0.528E+01
DAV: 5 -0.434893696998E+03 -0.16878E+01 -0.16853E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388922635187E+03 0.45971E+02 -0.15051E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385440889767E+03 0.34817E+01 -0.12557E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.384023088123E+03 0.14178E+01 -0.27268E+00 332 0.391E+00 0.432E+00
DAV: 9 -0.383451716130E+03 0.57137E+00 -0.61541E-01 332 0.197E+00 0.989E-01
DAV: 10 -0.383396437192E+03 0.55279E-01 -0.13947E-01 324 0.957E-01 0.814E-01
DAV: 11 -0.383379934700E+03 0.16502E-01 -0.31304E-02 316 0.447E-01 0.657E-01
DAV: 12 -0.383365479276E+03 0.14455E-01 -0.61947E-02 332 0.396E-01 0.514E-01
DAV: 13 -0.383353660553E+03 0.11819E-01 -0.65728E-02 308 0.414E-01 0.437E-01
DAV: 14 -0.383353086495E+03 0.57406E-03 -0.32314E-02 332 0.245E-01 0.204E-01
DAV: 15 -0.383356088742E+03 -0.30022E-02 -0.75624E-03 292 0.239E-01 0.155E-01
DAV: 16 -0.383370051302E+03 -0.13963E-01 -0.70210E-03 316 0.228E-01 0.130E-01
DAV: 17 -0.383380838857E+03 -0.10788E-01 -0.39051E-03 300 0.192E-01 0.112E-01
DAV: 18 -0.383390067150E+03 -0.92283E-02 -0.21371E-03 324 0.121E-01 0.929E-02
DAV: 19 -0.383394334265E+03 -0.42671E-02 -0.43559E-04 332 0.523E-02 0.667E-02
DAV: 20 -0.383398458779E+03 -0.41245E-02 -0.45450E-04 324 0.470E-02 0.288E-02
DAV: 21 -0.383404164916E+03 -0.57061E-02 -0.28164E-04 300 0.353E-02 0.187E-02
DAV: 22 -0.383407222824E+03 -0.30579E-02 -0.13100E-04 300 0.225E-02 0.211E-02
DAV: 23 -0.383409873195E+03 -0.26504E-02 -0.18525E-04 292 0.259E-02 0.675E-03
DAV: 24 -0.383410692059E+03 -0.81886E-03 -0.36026E-05 276 0.128E-02 0.555E-03
DAV: 25 -0.383411049574E+03 -0.35752E-03 -0.13554E-05 228 0.867E-03 0.419E-03
DAV: 26 -0.383411252422E+03 -0.20285E-03 -0.72938E-06 204 0.535E-03 0.286E-03
DAV: 27 -0.383411395416E+03 -0.14299E-03 -0.69895E-06 228 0.645E-03 0.253E-03
DAV: 28 -0.383411463709E+03 -0.68293E-04 -0.30454E-06 212 0.445E-03 0.143E-03
DAV: 29 -0.383411480161E+03 -0.16452E-04 -0.16196E-06 236 0.299E-03 0.125E-03
DAV: 30 -0.383411507566E+03 -0.27404E-04 -0.85521E-07 212 0.190E-03 0.717E-04
DAV: 31 -0.383411525217E+03 -0.17651E-04 -0.83153E-07 220 0.180E-03 0.428E-04
DAV: 32 -0.383411532219E+03 -0.70025E-05 -0.28103E-07 228 0.110E-03
1 F= -.38341153E+03 E0= -.38342481E+03 d E =0.398368E-01