./iterations/neb0_image02_iter180_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 0.366622975387E+03 0.36662E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178408327472E+01 -0.36484E+03 -0.35352E+03 861 0.195E+02
DAV: 3 -0.958425882133E+02 -0.97627E+02 -0.97294E+02 664 0.116E+02
DAV: 4 -0.100221911930E+03 -0.43793E+01 -0.43695E+01 720 0.282E+01
DAV: 5 -0.100306213747E+03 -0.84302E-01 -0.84275E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.916680382146E+02 0.86382E+01 -0.31089E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908592670754E+02 0.80877E+00 -0.18393E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904795138753E+02 0.37975E+00 -0.55036E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903922507441E+02 0.87263E-01 -0.13727E-01 712 0.168E+00 0.429E-01
DAV: 10 -0.903867947096E+02 0.54560E-02 -0.49968E-02 712 0.128E+00 0.331E-01
DAV: 11 -0.903903798827E+02 -0.35852E-02 -0.78345E-03 616 0.588E-01 0.124E-01
DAV: 12 -0.903934886071E+02 -0.31087E-02 -0.72040E-03 648 0.435E-01 0.138E-01
DAV: 13 -0.903959938094E+02 -0.25052E-02 -0.20018E-03 856 0.352E-01 0.822E-02
DAV: 14 -0.903991977958E+02 -0.32040E-02 -0.14303E-03 623 0.176E-01 0.708E-02
DAV: 15 -0.904010741567E+02 -0.18764E-02 -0.32801E-04 680 0.105E-01 0.543E-02
DAV: 16 -0.904025542623E+02 -0.14801E-02 -0.10798E-03 677 0.193E-01 0.402E-02
DAV: 17 -0.904032730968E+02 -0.71883E-03 -0.15552E-04 720 0.852E-02 0.278E-02
DAV: 18 -0.904035647487E+02 -0.29165E-03 -0.83235E-05 680 0.442E-02 0.106E-02
DAV: 19 -0.904037540400E+02 -0.18929E-03 -0.47920E-05 650 0.355E-02 0.750E-03
DAV: 20 -0.904037817985E+02 -0.27759E-04 -0.42186E-06 520 0.147E-02 0.557E-03
DAV: 21 -0.904038372755E+02 -0.55477E-04 -0.10982E-05 417 0.166E-02 0.341E-03
DAV: 22 -0.904038449719E+02 -0.76964E-05 -0.36514E-06 488 0.111E-02
1 F= -.90403845E+02 E0= -.90410640E+02 d E =0.203858E-01