iterations/neb0_image03_iter271_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 0.363864705064E+03 0.36386E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.176771451896E+01 -0.36210E+03 -0.34965E+03 845 0.195E+02
DAV: 3 -0.960654419555E+02 -0.97833E+02 -0.97523E+02 677 0.116E+02
DAV: 4 -0.100350015221E+03 -0.42846E+01 -0.42743E+01 704 0.275E+01
DAV: 5 -0.100432906772E+03 -0.82892E-01 -0.82867E-01 744 0.344E+00 0.223E+01
DAV: 6 -0.917206315785E+02 0.87123E+01 -0.31430E+01 672 0.300E+01 0.118E+01
DAV: 7 -0.908767866666E+02 0.84384E+00 -0.18060E+00 720 0.633E+00 0.485E+00
DAV: 8 -0.904853983480E+02 0.39139E+00 -0.55577E-01 696 0.428E+00 0.170E+00
DAV: 9 -0.903946492892E+02 0.90749E-01 -0.13734E-01 704 0.169E+00 0.440E-01
DAV: 10 -0.903886672702E+02 0.59820E-02 -0.48307E-02 720 0.126E+00 0.337E-01
DAV: 11 -0.903923268174E+02 -0.36595E-02 -0.69055E-03 624 0.592E-01 0.131E-01
DAV: 12 -0.903961174369E+02 -0.37906E-02 -0.70154E-03 621 0.407E-01 0.130E-01
DAV: 13 -0.903999629040E+02 -0.38455E-02 -0.16814E-03 826 0.315E-01 0.856E-02
DAV: 14 -0.904031200434E+02 -0.31571E-02 -0.12472E-03 653 0.160E-01 0.605E-02
DAV: 15 -0.904053524685E+02 -0.22324E-02 -0.39477E-04 680 0.108E-01 0.343E-02
DAV: 16 -0.904067308241E+02 -0.13784E-02 -0.44821E-04 661 0.113E-01 0.280E-02
DAV: 17 -0.904075147808E+02 -0.78396E-03 -0.14549E-04 701 0.753E-02 0.115E-02
DAV: 18 -0.904077971524E+02 -0.28237E-03 -0.65515E-05 680 0.405E-02 0.113E-02
DAV: 19 -0.904078893361E+02 -0.92184E-04 -0.88958E-06 472 0.215E-02 0.561E-03
DAV: 20 -0.904079605248E+02 -0.71189E-04 -0.25995E-05 565 0.275E-02 0.634E-03
DAV: 21 -0.904079948591E+02 -0.34334E-04 -0.53288E-06 469 0.176E-02 0.236E-03
DAV: 22 -0.904080012190E+02 -0.63599E-05 -0.44792E-06 536 0.107E-02
1 F= -.90408001E+02 E0= -.90415809E+02 d E =0.234243E-01