iterations/neb0_image04_iter210_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 0.365169914567E+03 0.36517E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.179212631076E+01 -0.36338E+03 -0.35103E+03 861 0.194E+02
DAV: 3 -0.959629773189E+02 -0.97755E+02 -0.97451E+02 664 0.116E+02
DAV: 4 -0.100290901121E+03 -0.43279E+01 -0.43180E+01 704 0.281E+01
DAV: 5 -0.100374678455E+03 -0.83777E-01 -0.83748E-01 736 0.352E+00 0.223E+01
DAV: 6 -0.916657325131E+02 0.87089E+01 -0.31220E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908048688691E+02 0.86086E+00 -0.17708E+00 704 0.644E+00 0.483E+00
DAV: 8 -0.903902733519E+02 0.41460E+00 -0.54981E-01 704 0.437E+00 0.171E+00
DAV: 9 -0.902967906073E+02 0.93483E-01 -0.16225E-01 720 0.185E+00 0.500E-01
DAV: 10 -0.902872632035E+02 0.95274E-02 -0.41090E-02 720 0.123E+00 0.346E-01
DAV: 11 -0.902893029071E+02 -0.20397E-02 -0.54234E-03 680 0.561E-01 0.185E-01
DAV: 12 -0.902916545250E+02 -0.23516E-02 -0.35366E-03 637 0.413E-01 0.117E-01
DAV: 13 -0.902949078901E+02 -0.32534E-02 -0.18515E-03 615 0.242E-01 0.940E-02
DAV: 14 -0.902997747298E+02 -0.48668E-02 -0.21245E-03 636 0.261E-01 0.550E-02
DAV: 15 -0.903010076667E+02 -0.12329E-02 -0.20878E-04 704 0.103E-01 0.407E-02
DAV: 16 -0.903038670962E+02 -0.28594E-02 -0.10037E-03 705 0.201E-01 0.435E-02
DAV: 17 -0.903041814447E+02 -0.31435E-03 -0.11596E-04 720 0.779E-02 0.332E-02
DAV: 18 -0.903048325855E+02 -0.65114E-03 -0.22877E-04 719 0.894E-02 0.119E-02
DAV: 19 -0.903054276010E+02 -0.59502E-03 -0.92533E-05 682 0.481E-02 0.133E-02
DAV: 20 -0.903055469337E+02 -0.11933E-03 -0.95441E-06 512 0.179E-02 0.878E-03
DAV: 21 -0.903056594710E+02 -0.11254E-03 -0.31463E-05 540 0.293E-02 0.550E-03
DAV: 22 -0.903056907330E+02 -0.31262E-04 -0.48388E-06 472 0.131E-02 0.341E-03
DAV: 23 -0.903057037054E+02 -0.12972E-04 -0.39312E-06 439 0.109E-02 0.349E-03
DAV: 24 -0.903057070338E+02 -0.33284E-05 -0.93928E-07 464 0.663E-03
1 F= -.90305707E+02 E0= -.90314104E+02 d E =0.251917E-01