iterations/neb0_image09_iter209_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 0.373842021142E+03 0.37384E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.324942867020E+01 -0.37059E+03 -0.35797E+03 869 0.196E+02
DAV: 3 -0.967096630588E+02 -0.99959E+02 -0.99629E+02 661 0.117E+02
DAV: 4 -0.101244195224E+03 -0.45345E+01 -0.45239E+01 720 0.287E+01
DAV: 5 -0.101333282201E+03 -0.89087E-01 -0.89046E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926726840459E+02 0.86606E+01 -0.30999E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918094782128E+02 0.86321E+00 -0.17170E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914344797040E+02 0.37500E+00 -0.54371E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913534473849E+02 0.81032E-01 -0.13124E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913452632845E+02 0.81841E-02 -0.44035E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913496194151E+02 -0.43561E-02 -0.11751E-02 608 0.565E-01 0.132E-01
DAV: 12 -0.913528276989E+02 -0.32083E-02 -0.28217E-03 623 0.244E-01 0.107E-01
DAV: 13 -0.913563159974E+02 -0.34883E-02 -0.12263E-03 663 0.190E-01 0.439E-02
DAV: 14 -0.913596399403E+02 -0.33239E-02 -0.73835E-04 664 0.152E-01 0.372E-02
DAV: 15 -0.913608444708E+02 -0.12045E-02 -0.13302E-04 760 0.824E-02 0.335E-02
DAV: 16 -0.913623009588E+02 -0.14565E-02 -0.31690E-04 645 0.883E-02 0.160E-02
DAV: 17 -0.913627408787E+02 -0.43992E-03 -0.55650E-05 680 0.484E-02 0.133E-02
DAV: 18 -0.913630031781E+02 -0.26230E-03 -0.46743E-05 629 0.314E-02 0.833E-03
DAV: 19 -0.913630586957E+02 -0.55518E-04 -0.55574E-06 496 0.130E-02 0.481E-03
DAV: 20 -0.913630943570E+02 -0.35661E-04 -0.73258E-06 418 0.169E-02 0.183E-03
DAV: 21 -0.913631103621E+02 -0.16005E-04 -0.31413E-06 456 0.825E-03 0.229E-03
DAV: 22 -0.913631130541E+02 -0.26920E-05 -0.55010E-07 496 0.391E-03
1 F= -.91363113E+02 E0= -.91367920E+02 d E =0.144205E-01