iterations/neb0_image08_iter26_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 0.375053927329E+03 0.37505E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.347968850435E+01 -0.37157E+03 -0.35803E+03 869 0.196E+02
DAV: 3 -0.966433969510E+02 -0.10012E+03 -0.99796E+02 680 0.117E+02
DAV: 4 -0.101025714701E+03 -0.43823E+01 -0.43710E+01 704 0.278E+01
DAV: 5 -0.101110400460E+03 -0.84686E-01 -0.84643E-01 728 0.351E+00 0.227E+01
DAV: 6 -0.924063407651E+02 0.87041E+01 -0.30774E+01 680 0.302E+01 0.119E+01
DAV: 7 -0.915163553572E+02 0.88999E+00 -0.17001E+00 720 0.621E+00 0.480E+00
DAV: 8 -0.911347868705E+02 0.38157E+00 -0.56043E-01 712 0.402E+00 0.165E+00
DAV: 9 -0.910492193944E+02 0.85567E-01 -0.13212E-01 712 0.156E+00 0.436E-01
DAV: 10 -0.910389949928E+02 0.10224E-01 -0.41443E-02 744 0.104E+00 0.292E-01
DAV: 11 -0.910436221250E+02 -0.46271E-02 -0.12393E-02 613 0.577E-01 0.160E-01
DAV: 12 -0.910460850372E+02 -0.24629E-02 -0.22364E-03 634 0.234E-01 0.981E-02
DAV: 13 -0.910503244336E+02 -0.42394E-02 -0.19139E-03 652 0.206E-01 0.500E-02
DAV: 14 -0.910535902398E+02 -0.32658E-02 -0.78981E-04 728 0.200E-01 0.405E-02
DAV: 15 -0.910554263815E+02 -0.18361E-02 -0.37929E-04 650 0.105E-01 0.321E-02
DAV: 16 -0.910562379393E+02 -0.81156E-03 -0.15012E-04 768 0.772E-02 0.148E-02
DAV: 17 -0.910572007389E+02 -0.96280E-03 -0.16050E-04 622 0.615E-02 0.175E-02
DAV: 18 -0.910573834308E+02 -0.18269E-03 -0.16198E-05 496 0.286E-02 0.104E-02
DAV: 19 -0.910575375234E+02 -0.15409E-03 -0.48456E-05 606 0.355E-02 0.577E-03
DAV: 20 -0.910575500529E+02 -0.12530E-04 -0.36862E-06 536 0.156E-02 0.286E-03
DAV: 21 -0.910575827227E+02 -0.32670E-04 -0.43422E-06 389 0.103E-02 0.101E-03
DAV: 22 -0.910575947700E+02 -0.12047E-04 -0.16101E-06 477 0.508E-03 0.124E-03
DAV: 23 -0.910575982056E+02 -0.34356E-05 -0.45765E-07 425 0.385E-03
1 F= -.91057598E+02 E0= -.91062382E+02 d E =0.143514E-01