./iterations/neb0_image07_iter195_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 0.371379838084E+03 0.37138E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.343843193381E+01 -0.36794E+03 -0.35547E+03 869 0.194E+02
DAV: 3 -0.963595364691E+02 -0.99798E+02 -0.99477E+02 672 0.116E+02
DAV: 4 -0.101079682875E+03 -0.47201E+01 -0.47080E+01 712 0.287E+01
DAV: 5 -0.101176601189E+03 -0.96918E-01 -0.96860E-01 728 0.367E+00 0.226E+01
DAV: 6 -0.925732549707E+02 0.86033E+01 -0.30584E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917253285040E+02 0.84793E+00 -0.17350E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913545340212E+02 0.37079E+00 -0.53296E-01 728 0.397E+00 0.163E+00
DAV: 9 -0.912732287497E+02 0.81305E-01 -0.13010E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912645804383E+02 0.86483E-02 -0.41040E-02 717 0.106E+00 0.293E-01
DAV: 11 -0.912689399863E+02 -0.43595E-02 -0.12077E-02 616 0.578E-01 0.146E-01
DAV: 12 -0.912716014451E+02 -0.26615E-02 -0.23706E-03 637 0.256E-01 0.903E-02
DAV: 13 -0.912756790906E+02 -0.40776E-02 -0.17720E-03 634 0.214E-01 0.545E-02
DAV: 14 -0.912779488678E+02 -0.22698E-02 -0.50985E-04 888 0.182E-01 0.343E-02
DAV: 15 -0.912801620058E+02 -0.22131E-02 -0.37500E-04 639 0.954E-02 0.297E-02
DAV: 16 -0.912812896104E+02 -0.11276E-02 -0.11422E-04 688 0.603E-02 0.148E-02
DAV: 17 -0.912821490182E+02 -0.85941E-03 -0.15021E-04 693 0.636E-02 0.152E-02
DAV: 18 -0.912823667798E+02 -0.21776E-03 -0.35887E-05 624 0.417E-02 0.639E-03
DAV: 19 -0.912824312824E+02 -0.64503E-04 -0.19620E-05 536 0.246E-02 0.638E-03
DAV: 20 -0.912824746637E+02 -0.43381E-04 -0.46780E-06 458 0.157E-02 0.367E-03
DAV: 21 -0.912825047917E+02 -0.30128E-04 -0.83163E-06 444 0.181E-02 0.276E-03
DAV: 22 -0.912825137907E+02 -0.89990E-05 -0.18843E-06 480 0.106E-02
1 F= -.91282514E+02 E0= -.91288008E+02 d E =0.164815E-01