iterations/neb0_image04_iter248_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 0.367171230732E+03 0.36717E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.115450611888E+01 -0.36602E+03 -0.35492E+03 858 0.195E+02
DAV: 3 -0.961257425503E+02 -0.97280E+02 -0.96993E+02 672 0.116E+02
DAV: 4 -0.100307201471E+03 -0.41815E+01 -0.41720E+01 704 0.273E+01
DAV: 5 -0.100388569822E+03 -0.81368E-01 -0.81340E-01 728 0.341E+00 0.223E+01
DAV: 6 -0.916803089418E+02 0.87083E+01 -0.31251E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908248712057E+02 0.85544E+00 -0.18167E+00 704 0.656E+00 0.485E+00
DAV: 8 -0.904205239475E+02 0.40435E+00 -0.54573E-01 704 0.458E+00 0.181E+00
DAV: 9 -0.903285095418E+02 0.92014E-01 -0.14453E-01 736 0.230E+00 0.629E-01
DAV: 10 -0.903103218706E+02 0.18188E-01 -0.44976E-02 720 0.109E+00 0.363E-01
DAV: 11 -0.903119207027E+02 -0.15988E-02 -0.16167E-02 712 0.638E-01 0.257E-01
DAV: 12 -0.903147414252E+02 -0.28207E-02 -0.35108E-03 682 0.488E-01 0.142E-01
DAV: 13 -0.903180972156E+02 -0.33558E-02 -0.28793E-03 623 0.369E-01 0.121E-01
DAV: 14 -0.903214440054E+02 -0.33468E-02 -0.16354E-03 695 0.285E-01 0.594E-02
DAV: 15 -0.903242753136E+02 -0.28313E-02 -0.82703E-04 648 0.146E-01 0.482E-02
DAV: 16 -0.903262244913E+02 -0.19492E-02 -0.43110E-04 744 0.155E-01 0.299E-02
DAV: 17 -0.903277224794E+02 -0.14980E-02 -0.33418E-04 657 0.903E-02 0.385E-02
DAV: 18 -0.903281068818E+02 -0.38440E-03 -0.72002E-05 776 0.689E-02 0.181E-02
DAV: 19 -0.903284352038E+02 -0.32832E-03 -0.17338E-04 649 0.771E-02 0.167E-02
DAV: 20 -0.903285490634E+02 -0.11386E-03 -0.12480E-05 480 0.284E-02 0.124E-02
DAV: 21 -0.903286227702E+02 -0.73707E-04 -0.37222E-05 620 0.333E-02 0.432E-03
DAV: 22 -0.903286545695E+02 -0.31799E-04 -0.36356E-06 477 0.133E-02 0.216E-03
DAV: 23 -0.903286617439E+02 -0.71744E-05 -0.20518E-06 496 0.669E-03
1 F= -.90328662E+02 E0= -.90336707E+02 d E =0.241354E-01