./iterations/neb0_image06_iter171_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 0.370997535112E+03 0.37100E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.337091506644E+01 -0.36763E+03 -0.35584E+03 877 0.193E+02
DAV: 3 -0.959909780730E+02 -0.99362E+02 -0.99026E+02 682 0.116E+02
DAV: 4 -0.100530315489E+03 -0.45393E+01 -0.45275E+01 704 0.280E+01
DAV: 5 -0.100620174673E+03 -0.89859E-01 -0.89812E-01 733 0.353E+00 0.226E+01
DAV: 6 -0.920567569089E+02 0.85634E+01 -0.30642E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.912317825188E+02 0.82497E+00 -0.17295E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.908568728141E+02 0.37491E+00 -0.53879E-01 728 0.407E+00 0.167E+00
DAV: 9 -0.907673103208E+02 0.89562E-01 -0.13054E-01 728 0.160E+00 0.421E-01
DAV: 10 -0.907573482826E+02 0.99620E-02 -0.35200E-02 768 0.938E-01 0.280E-01
DAV: 11 -0.907613630608E+02 -0.40148E-02 -0.89951E-03 602 0.496E-01 0.141E-01
DAV: 12 -0.907640116985E+02 -0.26486E-02 -0.19455E-03 645 0.260E-01 0.826E-02
DAV: 13 -0.907681150807E+02 -0.41034E-02 -0.18805E-03 639 0.206E-01 0.684E-02
DAV: 14 -0.907708735286E+02 -0.27584E-02 -0.91842E-04 792 0.224E-01 0.356E-02
DAV: 15 -0.907731381386E+02 -0.22646E-02 -0.38302E-04 626 0.968E-02 0.419E-02
DAV: 16 -0.907744013261E+02 -0.12632E-02 -0.29298E-04 736 0.110E-01 0.188E-02
DAV: 17 -0.907752907956E+02 -0.88947E-03 -0.15796E-04 634 0.622E-02 0.149E-02
DAV: 18 -0.907755432891E+02 -0.25249E-03 -0.20498E-05 528 0.230E-02 0.917E-03
DAV: 19 -0.907756874551E+02 -0.14417E-03 -0.29219E-05 508 0.267E-02 0.297E-03
DAV: 20 -0.907756996764E+02 -0.12221E-04 -0.31559E-06 536 0.102E-02 0.252E-03
DAV: 21 -0.907757338911E+02 -0.34215E-04 -0.49390E-06 395 0.112E-02 0.191E-03
DAV: 22 -0.907757373457E+02 -0.34546E-05 -0.80161E-07 496 0.534E-03
1 F= -.90775737E+02 E0= -.90781189E+02 d E =0.163541E-01