./iterations/neb0_image02_iter86_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 0.368069213850E+03 0.36807E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.469084861217E+01 -0.36338E+03 -0.34864E+03 834 0.195E+02
DAV: 3 -0.956041752868E+02 -0.10030E+03 -0.99963E+02 680 0.116E+02
DAV: 4 -0.100179700041E+03 -0.45755E+01 -0.45647E+01 704 0.283E+01
DAV: 5 -0.100269428459E+03 -0.89728E-01 -0.89685E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.916623555528E+02 0.86071E+01 -0.30941E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908375647812E+02 0.82479E+00 -0.18270E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904498399585E+02 0.38772E+00 -0.56078E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903597407628E+02 0.90099E-01 -0.13914E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903533080376E+02 0.64327E-02 -0.48068E-02 704 0.128E+00 0.324E-01
DAV: 11 -0.903569598469E+02 -0.36518E-02 -0.73479E-03 616 0.491E-01 0.147E-01
DAV: 12 -0.903603763892E+02 -0.34165E-02 -0.73419E-03 610 0.474E-01 0.132E-01
DAV: 13 -0.903630693228E+02 -0.26929E-02 -0.14957E-03 952 0.328E-01 0.796E-02
DAV: 14 -0.903661769760E+02 -0.31077E-02 -0.13971E-03 637 0.180E-01 0.569E-02
DAV: 15 -0.903685156378E+02 -0.23387E-02 -0.39344E-04 669 0.111E-01 0.435E-02
DAV: 16 -0.903699249823E+02 -0.14093E-02 -0.63357E-04 656 0.142E-01 0.317E-02
DAV: 17 -0.903708197236E+02 -0.89474E-03 -0.15932E-04 757 0.851E-02 0.198E-02
DAV: 18 -0.903709754747E+02 -0.15575E-03 -0.44882E-05 704 0.347E-02 0.101E-02
DAV: 19 -0.903711788917E+02 -0.20342E-03 -0.32515E-05 551 0.278E-02 0.329E-03
DAV: 20 -0.903712225396E+02 -0.43648E-04 -0.37566E-06 480 0.102E-02 0.422E-03
DAV: 21 -0.903712683149E+02 -0.45775E-04 -0.61647E-06 423 0.146E-02 0.383E-03
DAV: 22 -0.903712830569E+02 -0.14742E-04 -0.37023E-06 477 0.106E-02 0.278E-03
DAV: 23 -0.903712847883E+02 -0.17315E-05 -0.24860E-06 536 0.938E-03
1 F= -.90371285E+02 E0= -.90376903E+02 d E =0.168546E-01