iterations/neb0_image07_iter175_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 0.371129285539E+03 0.37113E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.320261840102E+01 -0.36793E+03 -0.35530E+03 869 0.194E+02
DAV: 3 -0.962731740428E+02 -0.99476E+02 -0.99153E+02 664 0.116E+02
DAV: 4 -0.101023727765E+03 -0.47506E+01 -0.47388E+01 696 0.291E+01
DAV: 5 -0.101122465995E+03 -0.98738E-01 -0.98669E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925532750422E+02 0.85692E+01 -0.30457E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917038706406E+02 0.84940E+00 -0.17209E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913342460517E+02 0.36962E+00 -0.52514E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912532377396E+02 0.81008E-01 -0.13104E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912449057295E+02 0.83320E-02 -0.43132E-02 746 0.110E+00 0.298E-01
DAV: 11 -0.912491224282E+02 -0.42167E-02 -0.12055E-02 608 0.578E-01 0.137E-01
DAV: 12 -0.912520558739E+02 -0.29334E-02 -0.27004E-03 617 0.255E-01 0.958E-02
DAV: 13 -0.912558345359E+02 -0.37787E-02 -0.13297E-03 642 0.189E-01 0.481E-02
DAV: 14 -0.912589108880E+02 -0.30764E-02 -0.57477E-04 797 0.167E-01 0.330E-02
DAV: 15 -0.912604129009E+02 -0.15020E-02 -0.25608E-04 680 0.933E-02 0.314E-02
DAV: 16 -0.912614904817E+02 -0.10776E-02 -0.16144E-04 690 0.689E-02 0.126E-02
DAV: 17 -0.912621877300E+02 -0.69725E-03 -0.73507E-05 677 0.421E-02 0.118E-02
DAV: 18 -0.912624746725E+02 -0.28694E-03 -0.43619E-05 672 0.402E-02 0.889E-03
DAV: 19 -0.912625568593E+02 -0.82187E-04 -0.97438E-06 448 0.223E-02 0.419E-03
DAV: 20 -0.912625795010E+02 -0.22642E-04 -0.95045E-06 512 0.170E-02 0.274E-03
DAV: 21 -0.912626043740E+02 -0.24873E-04 -0.28247E-06 409 0.104E-02 0.806E-04
DAV: 22 -0.912626122822E+02 -0.79081E-05 -0.15683E-06 469 0.531E-03
1 F= -.91262612E+02 E0= -.91268084E+02 d E =0.164143E-01