iterations/neb0_image05_iter9_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 0.358909019901E+03 0.35891E+03 -0.14167E+04 624 0.799E+02
DAV: 2 0.667378570732E+01 -0.35224E+03 -0.34036E+03 858 0.192E+02
DAV: 3 -0.905023621779E+02 -0.97176E+02 -0.96528E+02 712 0.114E+02
DAV: 4 -0.951901442746E+02 -0.46878E+01 -0.46669E+01 696 0.271E+01
DAV: 5 -0.952966294131E+02 -0.10649E+00 -0.10643E+00 736 0.357E+00 0.213E+01
DAV: 6 -0.871264717719E+02 0.81702E+01 -0.31461E+01 701 0.306E+01 0.112E+01
DAV: 7 -0.863952941498E+02 0.73118E+00 -0.19503E+00 736 0.787E+00 0.487E+00
DAV: 8 -0.860294692638E+02 0.36582E+00 -0.66554E-01 728 0.451E+00 0.173E+00
DAV: 9 -0.859590985464E+02 0.70371E-01 -0.16198E-01 728 0.188E+00 0.575E-01
DAV: 10 -0.859493427887E+02 0.97558E-02 -0.48051E-02 752 0.137E+00 0.338E-01
DAV: 11 -0.859489173888E+02 0.42540E-03 -0.92529E-03 712 0.645E-01 0.207E-01
DAV: 12 -0.859525452699E+02 -0.36279E-02 -0.11679E-02 608 0.580E-01 0.161E-01
DAV: 13 -0.859558028287E+02 -0.32576E-02 -0.28807E-03 694 0.383E-01 0.706E-02
DAV: 14 -0.859590153574E+02 -0.32125E-02 -0.16451E-03 631 0.200E-01 0.638E-02
DAV: 15 -0.859605357905E+02 -0.15204E-02 -0.49837E-04 688 0.154E-01 0.321E-02
DAV: 16 -0.859625247915E+02 -0.19890E-02 -0.41382E-04 717 0.121E-01 0.295E-02
DAV: 17 -0.859630461395E+02 -0.52135E-03 -0.67144E-05 784 0.581E-02 0.178E-02
DAV: 18 -0.859636656035E+02 -0.61946E-03 -0.14025E-04 701 0.673E-02 0.123E-02
DAV: 19 -0.859639903142E+02 -0.32471E-03 -0.29251E-05 573 0.360E-02 0.625E-03
DAV: 20 -0.859641145834E+02 -0.12427E-03 -0.29567E-05 648 0.251E-02 0.497E-03
DAV: 21 -0.859641655501E+02 -0.50967E-04 -0.63889E-06 450 0.197E-02 0.149E-03
DAV: 22 -0.859641869095E+02 -0.21359E-04 -0.58738E-06 448 0.114E-02 0.354E-03
DAV: 23 -0.859641941903E+02 -0.72807E-05 -0.11297E-06 471 0.643E-03
1 F= -.85964194E+02 E0= -.85968088E+02 d E =0.116826E-01