./iterations/neb0_image01_iter34_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 0.366419946738E+03 0.36642E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.307596638836E+01 -0.36334E+03 -0.35000E+03 847 0.195E+02
DAV: 3 -0.955852665745E+02 -0.98661E+02 -0.98313E+02 672 0.116E+02
DAV: 4 -0.100168105529E+03 -0.45828E+01 -0.45729E+01 685 0.285E+01
DAV: 5 -0.100260780199E+03 -0.92675E-01 -0.92619E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916520305109E+02 0.86087E+01 -0.31003E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908343603724E+02 0.81767E+00 -0.18325E+00 720 0.637E+00 0.483E+00
DAV: 8 -0.904529608837E+02 0.38140E+00 -0.56520E-01 704 0.431E+00 0.168E+00
DAV: 9 -0.903672760944E+02 0.85685E-01 -0.13723E-01 712 0.165E+00 0.429E-01
DAV: 10 -0.903614358717E+02 0.58402E-02 -0.43391E-02 736 0.123E+00 0.311E-01
DAV: 11 -0.903652312122E+02 -0.37953E-02 -0.64212E-03 605 0.457E-01 0.148E-01
DAV: 12 -0.903686340879E+02 -0.34029E-02 -0.64430E-03 618 0.478E-01 0.121E-01
DAV: 13 -0.903714328444E+02 -0.27988E-02 -0.10799E-03 776 0.278E-01 0.769E-02
DAV: 14 -0.903744189031E+02 -0.29861E-02 -0.16779E-03 637 0.199E-01 0.576E-02
DAV: 15 -0.903765481921E+02 -0.21293E-02 -0.36990E-04 768 0.135E-01 0.369E-02
DAV: 16 -0.903777944730E+02 -0.12463E-02 -0.50109E-04 661 0.125E-01 0.331E-02
DAV: 17 -0.903787026406E+02 -0.90817E-03 -0.16415E-04 738 0.875E-02 0.196E-02
DAV: 18 -0.903789095879E+02 -0.20695E-03 -0.53880E-05 696 0.374E-02 0.117E-02
DAV: 19 -0.903791313432E+02 -0.22176E-03 -0.49529E-05 630 0.353E-02 0.732E-03
DAV: 20 -0.903791592691E+02 -0.27926E-04 -0.27549E-06 496 0.131E-02 0.561E-03
DAV: 21 -0.903792054480E+02 -0.46179E-04 -0.12670E-05 397 0.209E-02 0.214E-03
DAV: 22 -0.903792169470E+02 -0.11499E-04 -0.26322E-06 485 0.878E-03 0.206E-03
DAV: 23 -0.903792201957E+02 -0.32488E-05 -0.58580E-07 448 0.354E-03
1 F= -.90379220E+02 E0= -.90384454E+02 d E =0.157001E-01