iterations/neb0_image04_iter234_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 0.367672703942E+03 0.36767E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.146219806111E+01 -0.36621E+03 -0.35484E+03 869 0.195E+02
DAV: 3 -0.960162272477E+02 -0.97478E+02 -0.97190E+02 661 0.116E+02
DAV: 4 -0.100295178029E+03 -0.42790E+01 -0.42700E+01 704 0.279E+01
DAV: 5 -0.100379075641E+03 -0.83898E-01 -0.83865E-01 736 0.349E+00 0.223E+01
DAV: 6 -0.916778509610E+02 0.87012E+01 -0.31195E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908169272530E+02 0.86092E+00 -0.17892E+00 712 0.657E+00 0.485E+00
DAV: 8 -0.904043791812E+02 0.41255E+00 -0.54726E-01 704 0.451E+00 0.177E+00
DAV: 9 -0.903128589666E+02 0.91520E-01 -0.15868E-01 720 0.202E+00 0.559E-01
DAV: 10 -0.902991773574E+02 0.13682E-01 -0.35301E-02 696 0.100E+00 0.346E-01
DAV: 11 -0.903006945013E+02 -0.15171E-02 -0.12089E-02 717 0.556E-01 0.205E-01
DAV: 12 -0.903043441997E+02 -0.36497E-02 -0.42503E-03 621 0.390E-01 0.123E-01
DAV: 13 -0.903073989625E+02 -0.30548E-02 -0.10043E-03 697 0.238E-01 0.103E-01
DAV: 14 -0.903112732895E+02 -0.38743E-02 -0.23993E-03 777 0.310E-01 0.705E-02
DAV: 15 -0.903126542875E+02 -0.13810E-02 -0.31912E-04 760 0.140E-01 0.400E-02
DAV: 16 -0.903155204607E+02 -0.28662E-02 -0.10035E-03 710 0.193E-01 0.413E-02
DAV: 17 -0.903160571797E+02 -0.53672E-03 -0.11652E-04 696 0.802E-02 0.291E-02
DAV: 18 -0.903167754369E+02 -0.71826E-03 -0.26424E-04 713 0.951E-02 0.137E-02
DAV: 19 -0.903172140328E+02 -0.43860E-03 -0.58135E-05 666 0.402E-02 0.114E-02
DAV: 20 -0.903173444647E+02 -0.13043E-03 -0.11797E-05 466 0.157E-02 0.726E-03
DAV: 21 -0.903174349154E+02 -0.90451E-04 -0.22682E-05 498 0.265E-02 0.257E-03
DAV: 22 -0.903174598908E+02 -0.24975E-04 -0.42878E-06 498 0.103E-02 0.324E-03
DAV: 23 -0.903174652973E+02 -0.54065E-05 -0.10329E-06 456 0.579E-03
1 F= -.90317465E+02 E0= -.90325684E+02 d E =0.246553E-01