iterations/neb0_image05_iter59_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 0.373007559905E+03 0.37301E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.407880099090E+01 -0.36893E+03 -0.35688E+03 874 0.195E+02
DAV: 3 -0.937419702344E+02 -0.97821E+02 -0.97471E+02 640 0.116E+02
DAV: 4 -0.984694634232E+02 -0.47275E+01 -0.47137E+01 728 0.299E+01
DAV: 5 -0.985708609265E+02 -0.10140E+00 -0.10136E+00 720 0.390E+00 0.218E+01
DAV: 6 -0.903451180442E+02 0.82257E+01 -0.28753E+01 688 0.290E+01 0.112E+01
DAV: 7 -0.895004490937E+02 0.84467E+00 -0.17468E+00 728 0.653E+00 0.466E+00
DAV: 8 -0.891217076643E+02 0.37874E+00 -0.60274E-01 696 0.432E+00 0.156E+00
DAV: 9 -0.890366778936E+02 0.85030E-01 -0.12511E-01 712 0.158E+00 0.433E-01
DAV: 10 -0.890256851193E+02 0.10993E-01 -0.41063E-02 733 0.108E+00 0.314E-01
DAV: 11 -0.890279846041E+02 -0.22995E-02 -0.91573E-03 624 0.534E-01 0.123E-01
DAV: 12 -0.890303708373E+02 -0.23862E-02 -0.25019E-03 690 0.270E-01 0.994E-02
DAV: 13 -0.890355086197E+02 -0.51378E-02 -0.14359E-03 631 0.246E-01 0.688E-02
DAV: 14 -0.890384505767E+02 -0.29420E-02 -0.87094E-04 674 0.144E-01 0.344E-02
DAV: 15 -0.890411625247E+02 -0.27119E-02 -0.42304E-04 677 0.112E-01 0.245E-02
DAV: 16 -0.890423731534E+02 -0.12106E-02 -0.89411E-05 701 0.557E-02 0.124E-02
DAV: 17 -0.890433168020E+02 -0.94365E-03 -0.16195E-04 663 0.625E-02 0.159E-02
DAV: 18 -0.890435161484E+02 -0.19935E-03 -0.54860E-05 744 0.582E-02 0.929E-03
DAV: 19 -0.890435728672E+02 -0.56719E-04 -0.14826E-05 480 0.253E-02 0.654E-03
DAV: 20 -0.890436814128E+02 -0.10855E-03 -0.25668E-05 483 0.273E-02 0.540E-03
DAV: 21 -0.890437124086E+02 -0.30996E-04 -0.41052E-06 488 0.146E-02 0.333E-03
DAV: 22 -0.890437231028E+02 -0.10694E-04 -0.61140E-06 461 0.148E-02 0.252E-03
DAV: 23 -0.890437258525E+02 -0.27497E-05 -0.88200E-07 480 0.720E-03
1 F= -.89043726E+02 E0= -.89047599E+02 d E =0.116181E-01