iterations/neb0_image05_iter243_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finishedN E dE d eps ncg rms rms(c) DAV: 1 0.366341727554E+03 0.36634E+03 -0.14290E+04 624 0.799E+02 DAV: 2 0.393314172658E+01 -0.36241E+03 -0.34783E+03 842 0.195E+02 DAV: 3 -0.953502519220E+02 -0.99283E+02 -0.98934E+02 672 0.116E+02 DAV: 4 -0.999986703649E+02 -0.46484E+01 -0.46358E+01 696 0.287E+01 DAV: 5 -0.100089593390E+03 -0.90923E-01 -0.90873E-01 736 0.360E+00 0.220E+01 DAV: 6 -0.915529868435E+02 0.85366E+01 -0.31142E+01 704 0.300E+01 0.116E+01 DAV: 7 -0.907626202055E+02 0.79037E+00 -0.17657E+00 728 0.627E+00 0.481E+00 DAV: 8 -0.903902214472E+02 0.37240E+00 -0.53923E-01 728 0.425E+00 0.167E+00 DAV: 9 -0.903036924189E+02 0.86529E-01 -0.13009E-01 728 0.169E+00 0.429E-01 DAV: 10 -0.902970039212E+02 0.66885E-02 -0.43818E-02 720 0.116E+00 0.315E-01 DAV: 11 -0.903009244823E+02 -0.39206E-02 -0.84835E-03 608 0.629E-01 0.117E-01 DAV: 12 -0.903031134957E+02 -0.21890E-02 -0.58476E-03 618 0.393E-01 0.134E-01 DAV: 13 -0.903057007705E+02 -0.25873E-02 -0.24008E-03 794 0.351E-01 0.881E-02 DAV: 14 -0.903086886129E+02 -0.29878E-02 -0.12952E-03 636 0.249E-01 0.945E-02 DAV: 15 -0.903086945690E+02 -0.59562E-05 -0.27306E-04 728 0.822E-02 0.921E-02 DAV: 16 -0.903088095097E+02 -0.11494E-03 -0.67447E-06 504 0.168E-02 0.908E-02 DAV: 17 -0.903094933641E+02 -0.68385E-03 -0.51641E-04 644 0.168E-01 0.111E-01 DAV: 18 -0.903103424924E+02 -0.84913E-03 -0.94904E-04 672 0.276E-01 0.251E-01 DAV: 19 -0.903115910192E+02 -0.12485E-02 -0.96113E-04 671 0.217E-01 0.267E-01 DAV: 20 -0.903113002321E+02 0.29079E-03 -0.98384E-04 656 0.206E-01 0.157E-01 DAV: 21 -0.903120425236E+02 -0.74229E-03 -0.35058E-04 636 0.183E-01 0.246E-01 DAV: 22 -0.903122866716E+02 -0.24415E-03 -0.33112E-04 696 0.121E-01 0.203E-01 DAV: 23 -0.903124733331E+02 -0.18666E-03 -0.95670E-05 680 0.727E-02 0.211E-01 DAV: 24 -0.903127097093E+02 -0.23638E-03 -0.23509E-04 614 0.912E-02 0.251E-01 DAV: 25 -0.903128112963E+02 -0.10159E-03 -0.40510E-05 672 0.452E-02 0.262E-01 DAV: 26 -0.903128562269E+02 -0.44931E-04 -0.30113E-05 696 0.294E-02 0.278E-01 DAV: 27 -0.903130176395E+02 -0.16141E-03 -0.51272E-05 609 0.379E-02 0.326E-01 DAV: 28 -0.903131426861E+02 -0.12505E-03 -0.24213E-05 552 0.364E-02 0.349E-01 DAV: 29 -0.903132065459E+02 -0.63860E-04 -0.22083E-05 592 0.269E-02 0.365E-01 DAV: 30 -0.903133389833E+02 -0.13244E-03 -0.31402E-05 573 0.352E-02 0.394E-01 DAV: 31 -0.903132780838E+02 0.60900E-04 -0.46381E-06 418 0.162E-02 0.383E-01 DAV: 32 -0.903134198610E+02 -0.14178E-03 -0.91447E-06 453 0.360E-02 0.397E-01 DAV: 33 -0.903133450910E+02 0.74770E-04 -0.37198E-06 472 0.184E-02 0.391E-01 DAV: 34 -0.903133478218E+02 -0.27308E-05 -0.63990E-07 389 0.392E-03 1 F= -.90313348E+02 E0= -.90322132E+02 d E =0.263534E-01