iterations/neb0_image06_iter161_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 0.371187106931E+03 0.37119E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.356067150734E+01 -0.36763E+03 -0.35591E+03 877 0.193E+02
DAV: 3 -0.960738576512E+02 -0.99635E+02 -0.99306E+02 690 0.116E+02
DAV: 4 -0.100531596487E+03 -0.44577E+01 -0.44455E+01 704 0.276E+01
DAV: 5 -0.100618772563E+03 -0.87176E-01 -0.87129E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.920108562539E+02 0.86079E+01 -0.30844E+01 725 0.305E+01 0.119E+01
DAV: 7 -0.911856529819E+02 0.82520E+00 -0.17366E+00 712 0.630E+00 0.481E+00
DAV: 8 -0.908086752067E+02 0.37698E+00 -0.53030E-01 728 0.400E+00 0.171E+00
DAV: 9 -0.907158732627E+02 0.92802E-01 -0.13507E-01 720 0.161E+00 0.426E-01
DAV: 10 -0.907056478938E+02 0.10225E-01 -0.33309E-02 776 0.917E-01 0.277E-01
DAV: 11 -0.907093384958E+02 -0.36906E-02 -0.88759E-03 602 0.489E-01 0.142E-01
DAV: 12 -0.907120615147E+02 -0.27230E-02 -0.20025E-03 656 0.274E-01 0.817E-02
DAV: 13 -0.907162279446E+02 -0.41664E-02 -0.20715E-03 636 0.220E-01 0.743E-02
DAV: 14 -0.907196136353E+02 -0.33857E-02 -0.16512E-03 749 0.309E-01 0.552E-02
DAV: 15 -0.907212510179E+02 -0.16374E-02 -0.43167E-04 717 0.124E-01 0.477E-02
DAV: 16 -0.907227147823E+02 -0.14638E-02 -0.44386E-04 735 0.124E-01 0.216E-02
DAV: 17 -0.907235188325E+02 -0.80405E-03 -0.17205E-04 712 0.650E-02 0.172E-02
DAV: 18 -0.907238378085E+02 -0.31898E-03 -0.26463E-05 599 0.235E-02 0.128E-02
DAV: 19 -0.907239721595E+02 -0.13435E-03 -0.37556E-05 616 0.373E-02 0.429E-03
DAV: 20 -0.907240091174E+02 -0.36958E-04 -0.63559E-06 490 0.172E-02 0.322E-03
DAV: 21 -0.907240333068E+02 -0.24189E-04 -0.46594E-06 404 0.970E-03 0.287E-03
DAV: 22 -0.907240348302E+02 -0.15234E-05 -0.80915E-07 544 0.646E-03
1 F= -.90724035E+02 E0= -.90729150E+02 d E =0.153446E-01