./iterations/neb0_image05_iter246_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 0.367251035369E+03 0.36725E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.441758404486E+01 -0.36283E+03 -0.34814E+03 837 0.195E+02
DAV: 3 -0.955307733571E+02 -0.99948E+02 -0.99600E+02 680 0.116E+02
DAV: 4 -0.100099762693E+03 -0.45690E+01 -0.45567E+01 696 0.284E+01
DAV: 5 -0.100187811776E+03 -0.88049E-01 -0.88005E-01 736 0.355E+00 0.221E+01
DAV: 6 -0.915965971824E+02 0.85912E+01 -0.31225E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907849799134E+02 0.81162E+00 -0.17631E+00 728 0.626E+00 0.482E+00
DAV: 8 -0.904084235656E+02 0.37656E+00 -0.54627E-01 728 0.427E+00 0.167E+00
DAV: 9 -0.903217395895E+02 0.86684E-01 -0.12884E-01 720 0.166E+00 0.433E-01
DAV: 10 -0.903126589074E+02 0.90807E-02 -0.39818E-02 712 0.113E+00 0.312E-01
DAV: 11 -0.903166734974E+02 -0.40146E-02 -0.89249E-03 608 0.791E-01 0.227E-01
DAV: 12 -0.903165906402E+02 0.82857E-04 -0.26984E-03 720 0.358E-01 0.117E-01
DAV: 13 -0.903192511705E+02 -0.26605E-02 -0.26470E-03 602 0.259E-01 0.916E-02
DAV: 14 -0.903224625883E+02 -0.32114E-02 -0.45035E-04 666 0.128E-01 0.675E-02
DAV: 15 -0.903262361213E+02 -0.37735E-02 -0.10631E-03 627 0.133E-01 0.367E-02
DAV: 16 -0.903279320944E+02 -0.16960E-02 -0.16141E-04 704 0.704E-02 0.202E-02
DAV: 17 -0.903293856022E+02 -0.14535E-02 -0.15087E-04 653 0.522E-02 0.117E-02
DAV: 18 -0.903297888338E+02 -0.40323E-03 -0.28111E-05 568 0.334E-02 0.724E-03
DAV: 19 -0.903301030487E+02 -0.31421E-03 -0.44860E-05 564 0.287E-02 0.821E-03
DAV: 20 -0.903301547398E+02 -0.51691E-04 -0.93561E-06 504 0.274E-02 0.404E-03
DAV: 21 -0.903301940638E+02 -0.39324E-04 -0.93245E-06 409 0.181E-02 0.411E-03
DAV: 22 -0.903302070189E+02 -0.12955E-04 -0.39476E-06 488 0.117E-02 0.277E-03
DAV: 23 -0.903302118688E+02 -0.48499E-05 -0.24396E-06 401 0.112E-02
1 F= -.90330212E+02 E0= -.90338656E+02 d E =0.253310E-01