iterations/neb0_image02_iter295_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 0.366305293670E+03 0.36631E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.158532376213E+01 -0.36472E+03 -0.35286E+03 861 0.196E+02
DAV: 3 -0.955695748768E+02 -0.97155E+02 -0.96821E+02 632 0.116E+02
DAV: 4 -0.100293657640E+03 -0.47241E+01 -0.47130E+01 704 0.298E+01
DAV: 5 -0.100387420200E+03 -0.93763E-01 -0.93725E-01 720 0.377E+00 0.223E+01
DAV: 6 -0.916811548477E+02 0.87063E+01 -0.30874E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908471659091E+02 0.83399E+00 -0.18205E+00 712 0.632E+00 0.485E+00
DAV: 8 -0.904692048105E+02 0.37796E+00 -0.54493E-01 704 0.425E+00 0.170E+00
DAV: 9 -0.903867240814E+02 0.82481E-01 -0.12966E-01 720 0.181E+00 0.428E-01
DAV: 10 -0.903829048614E+02 0.38192E-02 -0.42512E-02 712 0.113E+00 0.323E-01
DAV: 11 -0.903874335719E+02 -0.45287E-02 -0.96887E-03 613 0.733E-01 0.126E-01
DAV: 12 -0.903893369509E+02 -0.19034E-02 -0.48972E-03 648 0.378E-01 0.113E-01
DAV: 13 -0.903927549497E+02 -0.34180E-02 -0.25071E-03 685 0.334E-01 0.853E-02
DAV: 14 -0.903955612736E+02 -0.28063E-02 -0.95972E-04 647 0.149E-01 0.622E-02
DAV: 15 -0.903972404421E+02 -0.16792E-02 -0.40353E-04 712 0.130E-01 0.244E-02
DAV: 16 -0.903989581651E+02 -0.17177E-02 -0.44043E-04 680 0.124E-01 0.340E-02
DAV: 17 -0.903993974087E+02 -0.43924E-03 -0.10902E-04 824 0.837E-02 0.203E-02
DAV: 18 -0.903995144587E+02 -0.11705E-03 -0.52115E-05 704 0.400E-02 0.113E-02
DAV: 19 -0.903998075644E+02 -0.29311E-03 -0.42445E-05 566 0.371E-02 0.557E-03
DAV: 20 -0.903998999817E+02 -0.92417E-04 -0.97402E-06 480 0.160E-02 0.466E-03
DAV: 21 -0.903999491779E+02 -0.49196E-04 -0.57866E-06 445 0.141E-02 0.195E-03
DAV: 22 -0.903999726562E+02 -0.23478E-04 -0.83048E-06 458 0.159E-02 0.482E-03
DAV: 23 -0.903999759108E+02 -0.32546E-05 -0.17781E-06 496 0.134E-02
1 F= -.90399976E+02 E0= -.90407816E+02 d E =0.235206E-01