iterations/neb0_image07_iter27_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 0.150640449602E+04 0.15064E+04 -0.43556E+04 322 0.697E+02
DAV: 2 0.248262959808E+03 -0.12581E+04 -0.11839E+04 428 0.164E+02
DAV: 3 -0.359260500138E+03 -0.60752E+03 -0.60334E+03 356 0.117E+02
DAV: 4 -0.433025331345E+03 -0.73765E+02 -0.73452E+02 316 0.513E+01
DAV: 5 -0.434718994207E+03 -0.16937E+01 -0.16908E+01 332 0.787E+00 0.426E+01
DAV: 6 -0.388813675542E+03 0.45905E+02 -0.14973E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385327243068E+03 0.34864E+01 -0.12624E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383898589635E+03 0.14287E+01 -0.23093E+00 332 0.390E+00 0.427E+00
DAV: 9 -0.383341627161E+03 0.55696E+00 -0.60885E-01 332 0.191E+00 0.967E-01
DAV: 10 -0.383282381553E+03 0.59246E-01 -0.14319E-01 340 0.963E-01 0.735E-01
DAV: 11 -0.383264909664E+03 0.17472E-01 -0.27567E-02 356 0.496E-01 0.641E-01
DAV: 12 -0.383256377145E+03 0.85325E-02 -0.58542E-02 308 0.321E-01 0.471E-01
DAV: 13 -0.383245724004E+03 0.10653E-01 -0.61283E-02 308 0.391E-01 0.450E-01
DAV: 14 -0.383244494376E+03 0.12296E-02 -0.39035E-02 348 0.256E-01 0.232E-01
DAV: 15 -0.383246799329E+03 -0.23050E-02 -0.12573E-02 292 0.258E-01 0.227E-01
DAV: 16 -0.383260702775E+03 -0.13903E-01 -0.77658E-03 300 0.244E-01 0.200E-01
DAV: 17 -0.383271340832E+03 -0.10638E-01 -0.59486E-03 292 0.198E-01 0.143E-01
DAV: 18 -0.383276594302E+03 -0.52535E-02 -0.28362E-03 340 0.137E-01 0.115E-01
DAV: 19 -0.383279548644E+03 -0.29543E-02 -0.88181E-04 356 0.772E-02 0.100E-01
DAV: 20 -0.383282099706E+03 -0.25511E-02 -0.51573E-04 332 0.672E-02 0.757E-02
DAV: 21 -0.383287938660E+03 -0.58390E-02 -0.27039E-03 364 0.123E-01 0.986E-02
DAV: 22 -0.383286622687E+03 0.13160E-02 -0.29556E-03 292 0.838E-02 0.648E-02
DAV: 23 -0.383290976812E+03 -0.43541E-02 -0.48621E-04 284 0.572E-02 0.437E-02
DAV: 24 -0.383295813285E+03 -0.48365E-02 -0.19175E-03 300 0.836E-02 0.967E-02
DAV: 25 -0.383296452410E+03 -0.63912E-03 -0.10246E-03 308 0.488E-02 0.164E-02
DAV: 26 -0.383297836328E+03 -0.13839E-02 -0.13995E-04 292 0.206E-02 0.146E-02
DAV: 27 -0.383298729423E+03 -0.89310E-03 -0.43553E-05 268 0.145E-02 0.755E-03
DAV: 28 -0.383299321906E+03 -0.59248E-03 -0.43598E-05 252 0.111E-02 0.935E-03
DAV: 29 -0.383299416846E+03 -0.94941E-04 -0.61213E-06 244 0.555E-03 0.599E-03
DAV: 30 -0.383299591386E+03 -0.17454E-03 -0.11750E-05 204 0.670E-03 0.386E-03
DAV: 31 -0.383299673705E+03 -0.82320E-04 -0.44127E-06 228 0.456E-03 0.358E-03
DAV: 32 -0.383299715385E+03 -0.41680E-04 -0.23063E-06 204 0.331E-03 0.208E-03
DAV: 33 -0.383299747222E+03 -0.31836E-04 -0.19561E-06 220 0.250E-03 0.188E-03
DAV: 34 -0.383299761865E+03 -0.14644E-04 -0.72866E-07 228 0.199E-03 0.788E-04
DAV: 35 -0.383299771448E+03 -0.95826E-05 -0.45637E-07 220 0.127E-03
1 F= -.38329977E+03 E0= -.38331725E+03 d E =0.524291E-01