iterations/neb0_image03_iter171_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.364058832797E+03 0.36406E+03 -0.14321E+04 632 0.799E+02 DAV: 2 0.271630382834E+00 -0.36379E+03 -0.35366E+03 861 0.195E+02 DAV: 3 -0.961331701385E+02 -0.96405E+02 -0.96090E+02 680 0.115E+02 DAV: 4 -0.100248627881E+03 -0.41155E+01 -0.41048E+01 712 0.271E+01 DAV: 5 -0.100329318764E+03 -0.80691E-01 -0.80657E-01 736 0.341E+00 0.222E+01 DAV: 6 -0.917164302939E+02 0.86129E+01 -0.30964E+01 672 0.299E+01 0.117E+01 DAV: 7 -0.908771454285E+02 0.83928E+00 -0.18143E+00 704 0.638E+00 0.484E+00 DAV: 8 -0.904794120543E+02 0.39773E+00 -0.55130E-01 704 0.427E+00 0.169E+00 DAV: 9 -0.903813151936E+02 0.98097E-01 -0.12770E-01 720 0.204E+00 0.448E-01 DAV: 10 -0.903734576446E+02 0.78575E-02 -0.52186E-02 712 0.124E+00 0.362E-01 DAV: 11 -0.903775217341E+02 -0.40641E-02 -0.16365E-02 605 0.829E-01 0.170E-01 DAV: 12 -0.903786495594E+02 -0.11278E-02 -0.64079E-03 637 0.470E-01 0.150E-01 DAV: 13 -0.903822744276E+02 -0.36249E-02 -0.79654E-03 629 0.648E-01 0.110E-01 DAV: 14 -0.903852761220E+02 -0.30017E-02 -0.19272E-03 712 0.282E-01 0.843E-02 DAV: 15 -0.903874889219E+02 -0.22128E-02 -0.70379E-04 653 0.141E-01 0.381E-02 DAV: 16 -0.903895202479E+02 -0.20313E-02 -0.51211E-04 672 0.117E-01 0.271E-02 DAV: 17 -0.903907058243E+02 -0.11856E-02 -0.18051E-04 696 0.126E-01 0.170E-02 DAV: 18 -0.903912536864E+02 -0.54786E-03 -0.28085E-04 658 0.105E-01 0.194E-02 DAV: 19 -0.903913094628E+02 -0.55776E-04 -0.28895E-05 624 0.410E-02 0.116E-02 DAV: 20 -0.903914197779E+02 -0.11032E-03 -0.74598E-05 601 0.453E-02 0.113E-02 DAV: 21 -0.903914652767E+02 -0.45499E-04 -0.11312E-05 509 0.357E-02 0.682E-03 DAV: 22 -0.903914836881E+02 -0.18411E-04 -0.21784E-05 552 0.278E-02 0.408E-03 DAV: 23 -0.903914961830E+02 -0.12495E-04 -0.48097E-06 472 0.134E-02 0.126E-03 DAV: 24 -0.903915064581E+02 -0.10275E-04 -0.34531E-06 445 0.896E-03 0.319E-03 DAV: 25 -0.903915089873E+02 -0.25293E-05 -0.79661E-07 488 0.512E-03 1 F= -.90391509E+02 E0= -.90396724E+02 d E =0.156435E-01