iterations/neb0_image08_iter149_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374777124162E+03 0.37478E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.369483878423E+01 -0.37108E+03 -0.35890E+03 866 0.196E+02
DAV: 3 -0.967207651648E+02 -0.10042E+03 -0.10010E+03 669 0.117E+02
DAV: 4 -0.101265659295E+03 -0.45449E+01 -0.45325E+01 728 0.284E+01
DAV: 5 -0.101354927904E+03 -0.89269E-01 -0.89221E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926512480540E+02 0.87037E+01 -0.30925E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917751429137E+02 0.87611E+00 -0.17444E+00 712 0.616E+00 0.480E+00
DAV: 8 -0.913971401515E+02 0.37800E+00 -0.54735E-01 720 0.397E+00 0.162E+00
DAV: 9 -0.913160282284E+02 0.81112E-01 -0.13211E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.913077645002E+02 0.82637E-02 -0.44463E-02 776 0.111E+00 0.299E-01
DAV: 11 -0.913122725536E+02 -0.45081E-02 -0.12407E-02 608 0.585E-01 0.137E-01
DAV: 12 -0.913152685766E+02 -0.29960E-02 -0.27572E-03 625 0.247E-01 0.105E-01
DAV: 13 -0.913187153011E+02 -0.34467E-02 -0.12890E-03 637 0.190E-01 0.445E-02
DAV: 14 -0.913220232924E+02 -0.33080E-02 -0.70657E-04 669 0.161E-01 0.337E-02
DAV: 15 -0.913233791415E+02 -0.13558E-02 -0.17745E-04 680 0.840E-02 0.355E-02
DAV: 16 -0.913248078753E+02 -0.14287E-02 -0.36173E-04 652 0.992E-02 0.184E-02
DAV: 17 -0.913251993043E+02 -0.39143E-03 -0.51631E-05 680 0.507E-02 0.138E-02
DAV: 18 -0.913254357424E+02 -0.23644E-03 -0.47331E-05 573 0.354E-02 0.113E-02
DAV: 19 -0.913255347018E+02 -0.98959E-04 -0.15313E-05 480 0.214E-02 0.566E-03
DAV: 20 -0.913255614974E+02 -0.26796E-04 -0.64077E-06 480 0.154E-02 0.238E-03
DAV: 21 -0.913255803627E+02 -0.18865E-04 -0.41873E-06 418 0.113E-02 0.201E-03
DAV: 22 -0.913255925717E+02 -0.12209E-04 -0.20273E-06 434 0.555E-03 0.213E-03
DAV: 23 -0.913255939138E+02 -0.13420E-05 -0.55199E-07 520 0.614E-03
1 F= -.91325594E+02 E0= -.91330369E+02 d E =0.143260E-01