iterations/neb0_image01_iter267_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 0.362818193382E+03 0.36282E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.399404793537E+01 -0.35882E+03 -0.34467E+03 820 0.195E+02
DAV: 3 -0.954691448923E+02 -0.99463E+02 -0.99106E+02 664 0.116E+02
DAV: 4 -0.100235712638E+03 -0.47666E+01 -0.47535E+01 696 0.294E+01
DAV: 5 -0.100328728527E+03 -0.93016E-01 -0.92977E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917027996165E+02 0.86259E+01 -0.30942E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908939345316E+02 0.80887E+00 -0.18354E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905152383577E+02 0.37870E+00 -0.55477E-01 696 0.430E+00 0.168E+00
DAV: 9 -0.904309645434E+02 0.84274E-01 -0.13565E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.904260796020E+02 0.48849E-02 -0.45599E-02 720 0.124E+00 0.317E-01
DAV: 11 -0.904298586214E+02 -0.37790E-02 -0.64994E-03 608 0.490E-01 0.140E-01
DAV: 12 -0.904334679867E+02 -0.36094E-02 -0.72952E-03 626 0.498E-01 0.132E-01
DAV: 13 -0.904360695945E+02 -0.26016E-02 -0.16893E-03 896 0.322E-01 0.752E-02
DAV: 14 -0.904390923092E+02 -0.30227E-02 -0.12914E-03 639 0.171E-01 0.594E-02
DAV: 15 -0.904410541106E+02 -0.19618E-02 -0.37262E-04 680 0.111E-01 0.466E-02
DAV: 16 -0.904425566725E+02 -0.15026E-02 -0.85249E-04 666 0.173E-01 0.360E-02
DAV: 17 -0.904432630824E+02 -0.70641E-03 -0.12625E-04 688 0.805E-02 0.268E-02
DAV: 18 -0.904435246442E+02 -0.26156E-03 -0.11646E-04 653 0.554E-02 0.896E-03
DAV: 19 -0.904436821120E+02 -0.15747E-03 -0.28780E-05 525 0.274E-02 0.599E-03
DAV: 20 -0.904437142794E+02 -0.32167E-04 -0.49602E-06 488 0.154E-02 0.767E-03
DAV: 21 -0.904437471174E+02 -0.32838E-04 -0.57403E-06 417 0.155E-02 0.458E-03
DAV: 22 -0.904437575309E+02 -0.10414E-04 -0.56085E-06 480 0.141E-02 0.216E-03
DAV: 23 -0.904437588621E+02 -0.13312E-05 -0.13549E-06 536 0.685E-03
1 F= -.90443759E+02 E0= -.90449353E+02 d E =0.167823E-01