./iterations/neb0_image06_iter217_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 0.370834070320E+03 0.37083E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.430816419323E+01 -0.36653E+03 -0.35450E+03 858 0.193E+02
DAV: 3 -0.955975928132E+02 -0.99906E+02 -0.99561E+02 664 0.116E+02
DAV: 4 -0.100353975717E+03 -0.47564E+01 -0.47418E+01 728 0.288E+01
DAV: 5 -0.100451864147E+03 -0.97888E-01 -0.97831E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.918725414156E+02 0.85793E+01 -0.30440E+01 688 0.301E+01 0.118E+01
DAV: 7 -0.910409107741E+02 0.83163E+00 -0.17645E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906638012817E+02 0.37711E+00 -0.55533E-01 704 0.415E+00 0.166E+00
DAV: 9 -0.905743391149E+02 0.89462E-01 -0.12887E-01 712 0.159E+00 0.426E-01
DAV: 10 -0.905641489604E+02 0.10190E-01 -0.36611E-02 744 0.948E-01 0.286E-01
DAV: 11 -0.905683575725E+02 -0.42086E-02 -0.96390E-03 602 0.507E-01 0.149E-01
DAV: 12 -0.905709834556E+02 -0.26259E-02 -0.25463E-03 620 0.283E-01 0.819E-02
DAV: 13 -0.905749269311E+02 -0.39435E-02 -0.15763E-03 633 0.181E-01 0.669E-02
DAV: 14 -0.905783046413E+02 -0.33777E-02 -0.10182E-03 728 0.227E-01 0.388E-02
DAV: 15 -0.905801190539E+02 -0.18144E-02 -0.28742E-04 725 0.967E-02 0.387E-02
DAV: 16 -0.905816059696E+02 -0.14869E-02 -0.37909E-04 709 0.118E-01 0.193E-02
DAV: 17 -0.905823194209E+02 -0.71345E-03 -0.11499E-04 685 0.608E-02 0.130E-02
DAV: 18 -0.905825501924E+02 -0.23077E-03 -0.22299E-05 536 0.213E-02 0.896E-03
DAV: 19 -0.905826952441E+02 -0.14505E-03 -0.22615E-05 481 0.236E-02 0.245E-03
DAV: 20 -0.905827216880E+02 -0.26444E-04 -0.73546E-06 496 0.148E-02 0.363E-03
DAV: 21 -0.905827372801E+02 -0.15592E-04 -0.21791E-06 395 0.616E-03 0.320E-03
DAV: 22 -0.905827397954E+02 -0.25153E-05 -0.82088E-07 480 0.633E-03
1 F= -.90582740E+02 E0= -.90587707E+02 d E =0.149019E-01