iterations/neb0_image04_iter224_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 0.368167582379E+03 0.36817E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.157151339154E+01 -0.36660E+03 -0.35498E+03 869 0.195E+02
DAV: 3 -0.960213506819E+02 -0.97593E+02 -0.97305E+02 658 0.116E+02
DAV: 4 -0.100301573116E+03 -0.42802E+01 -0.42709E+01 704 0.279E+01
DAV: 5 -0.100385120381E+03 -0.83547E-01 -0.83511E-01 736 0.349E+00 0.224E+01
DAV: 6 -0.916759114294E+02 0.87092E+01 -0.31174E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908116199353E+02 0.86429E+00 -0.17864E+00 712 0.652E+00 0.484E+00
DAV: 8 -0.903978771591E+02 0.41374E+00 -0.55006E-01 696 0.450E+00 0.176E+00
DAV: 9 -0.903063210887E+02 0.91556E-01 -0.15849E-01 728 0.200E+00 0.543E-01
DAV: 10 -0.902937027754E+02 0.12618E-01 -0.34819E-02 712 0.991E-01 0.342E-01
DAV: 11 -0.902953735247E+02 -0.16707E-02 -0.10779E-02 712 0.520E-01 0.199E-01
DAV: 12 -0.902988321494E+02 -0.34586E-02 -0.32084E-03 621 0.366E-01 0.123E-01
DAV: 13 -0.903020351920E+02 -0.32030E-02 -0.13446E-03 625 0.278E-01 0.106E-01
DAV: 14 -0.903059653373E+02 -0.39301E-02 -0.25944E-03 742 0.317E-01 0.638E-02
DAV: 15 -0.903073314869E+02 -0.13661E-02 -0.30437E-04 696 0.125E-01 0.421E-02
DAV: 16 -0.903103070604E+02 -0.29756E-02 -0.13017E-03 716 0.226E-01 0.515E-02
DAV: 17 -0.903106891364E+02 -0.38208E-03 -0.16351E-04 704 0.957E-02 0.361E-02
DAV: 18 -0.903112875827E+02 -0.59845E-03 -0.24566E-04 719 0.902E-02 0.104E-02
DAV: 19 -0.903117686951E+02 -0.48111E-03 -0.69746E-05 666 0.431E-02 0.120E-02
DAV: 20 -0.903119741362E+02 -0.20544E-03 -0.15495E-05 506 0.152E-02 0.112E-02
DAV: 21 -0.903120609036E+02 -0.86767E-04 -0.18953E-05 517 0.287E-02 0.248E-03
DAV: 22 -0.903120912310E+02 -0.30327E-04 -0.11895E-05 482 0.187E-02 0.466E-03
DAV: 23 -0.903120978366E+02 -0.66056E-05 -0.21674E-06 469 0.716E-03
1 F= -.90312098E+02 E0= -.90320373E+02 d E =0.248246E-01