iterations/neb0_image05_iter56_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 0.373085874646E+03 0.37309E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.411348830537E+01 -0.36897E+03 -0.35694E+03 874 0.195E+02
DAV: 3 -0.937329156398E+02 -0.97846E+02 -0.97498E+02 640 0.116E+02
DAV: 4 -0.984587781566E+02 -0.47259E+01 -0.47120E+01 728 0.299E+01
DAV: 5 -0.985601404654E+02 -0.10136E+00 -0.10132E+00 720 0.390E+00 0.218E+01
DAV: 6 -0.903287972692E+02 0.82313E+01 -0.28768E+01 712 0.290E+01 0.112E+01
DAV: 7 -0.894842995868E+02 0.84450E+00 -0.17537E+00 720 0.653E+00 0.466E+00
DAV: 8 -0.891062964556E+02 0.37800E+00 -0.60168E-01 696 0.431E+00 0.157E+00
DAV: 9 -0.890209641095E+02 0.85332E-01 -0.12613E-01 712 0.158E+00 0.433E-01
DAV: 10 -0.890101241491E+02 0.10840E-01 -0.39933E-02 733 0.106E+00 0.311E-01
DAV: 11 -0.890124705882E+02 -0.23464E-02 -0.89546E-03 624 0.532E-01 0.123E-01
DAV: 12 -0.890149065182E+02 -0.24359E-02 -0.25063E-03 682 0.266E-01 0.986E-02
DAV: 13 -0.890199642223E+02 -0.50577E-02 -0.13316E-03 631 0.235E-01 0.686E-02
DAV: 14 -0.890229110521E+02 -0.29468E-02 -0.91004E-04 674 0.146E-01 0.340E-02
DAV: 15 -0.890256906271E+02 -0.27796E-02 -0.44060E-04 677 0.117E-01 0.245E-02
DAV: 16 -0.890267969308E+02 -0.11063E-02 -0.83116E-05 717 0.552E-02 0.127E-02
DAV: 17 -0.890277033589E+02 -0.90643E-03 -0.15593E-04 647 0.632E-02 0.155E-02
DAV: 18 -0.890279252875E+02 -0.22193E-03 -0.55269E-05 760 0.582E-02 0.928E-03
DAV: 19 -0.890279911435E+02 -0.65856E-04 -0.15053E-05 472 0.253E-02 0.657E-03
DAV: 20 -0.890280903201E+02 -0.99177E-04 -0.25151E-05 486 0.278E-02 0.522E-03
DAV: 21 -0.890281248513E+02 -0.34531E-04 -0.45973E-06 480 0.154E-02 0.311E-03
DAV: 22 -0.890281354241E+02 -0.10573E-04 -0.54243E-06 480 0.133E-02 0.242E-03
DAV: 23 -0.890281385962E+02 -0.31721E-05 -0.79311E-07 456 0.677E-03
1 F= -.89028139E+02 E0= -.89032012E+02 d E =0.116189E-01