iterations/neb0_image03_iter28_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 0.144874413785E+04 0.14487E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224654198791E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362485058584E+03 -0.58714E+03 -0.58356E+03 345 0.114E+02
DAV: 4 -0.433387676514E+03 -0.70903E+02 -0.70673E+02 309 0.508E+01
DAV: 5 -0.434977807669E+03 -0.15901E+01 -0.15874E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389049848654E+03 0.45928E+02 -0.14792E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385606300661E+03 0.34435E+01 -0.13736E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384133571799E+03 0.14727E+01 -0.21011E+00 336 0.386E+00 0.433E+00
DAV: 9 -0.383571714408E+03 0.56186E+00 -0.76040E-01 327 0.222E+00 0.118E+00
DAV: 10 -0.383516976573E+03 0.54738E-01 -0.32454E-01 327 0.100E+00 0.114E+00
DAV: 11 -0.383493471943E+03 0.23505E-01 -0.10667E-01 327 0.649E-01 0.876E-01
DAV: 12 -0.383468209030E+03 0.25263E-01 -0.43392E-02 318 0.400E-01 0.584E-01
DAV: 13 -0.383456495497E+03 0.11714E-01 -0.19563E-02 327 0.483E-01 0.742E-01
DAV: 14 -0.383444067925E+03 0.12428E-01 -0.19764E-02 336 0.373E-01 0.265E-01
DAV: 15 -0.383445009755E+03 -0.94183E-03 -0.90970E-03 309 0.299E-01 0.253E-01
DAV: 16 -0.383449642149E+03 -0.46324E-02 -0.42309E-03 336 0.238E-01 0.154E-01
DAV: 17 -0.383458260711E+03 -0.86186E-02 -0.23374E-03 300 0.161E-01 0.116E-01
DAV: 18 -0.383472368684E+03 -0.14108E-01 -0.37528E-03 309 0.187E-01 0.899E-02
DAV: 19 -0.383479013497E+03 -0.66448E-02 -0.13363E-03 327 0.111E-01 0.484E-02
DAV: 20 -0.383484314831E+03 -0.53013E-02 -0.36063E-04 318 0.499E-02 0.375E-02
DAV: 21 -0.383490282670E+03 -0.59678E-02 -0.26639E-04 309 0.356E-02 0.220E-02
DAV: 22 -0.383495295235E+03 -0.50126E-02 -0.27756E-04 300 0.309E-02 0.129E-02
DAV: 23 -0.383496937803E+03 -0.16426E-02 -0.58359E-05 318 0.142E-02 0.856E-03
DAV: 24 -0.383498738788E+03 -0.18010E-02 -0.92809E-05 273 0.161E-02 0.752E-03
DAV: 25 -0.383499348848E+03 -0.61006E-03 -0.27129E-05 255 0.961E-03 0.396E-03
DAV: 26 -0.383499570073E+03 -0.22123E-03 -0.60479E-06 237 0.516E-03 0.251E-03
DAV: 27 -0.383499732356E+03 -0.16228E-03 -0.56626E-06 210 0.493E-03 0.229E-03
DAV: 28 -0.383499792489E+03 -0.60134E-04 -0.21866E-06 219 0.316E-03 0.180E-03
DAV: 29 -0.383499824705E+03 -0.32216E-04 -0.13885E-06 219 0.265E-03 0.122E-03
DAV: 30 -0.383499840190E+03 -0.15485E-04 -0.73499E-07 219 0.187E-03 0.633E-04
DAV: 31 -0.383499851705E+03 -0.11515E-04 -0.46392E-07 201 0.125E-03 0.452E-04
DAV: 32 -0.383499857466E+03 -0.57610E-05 -0.23368E-07 228 0.969E-04
1 F= -.38349986E+03 E0= -.38351641E+03 d E =0.496429E-01