iterations/neb0_image01_iter285_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 0.362807262733E+03 0.36281E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.302178308270E+01 -0.35979E+03 -0.34751E+03 828 0.195E+02
DAV: 3 -0.955502390345E+02 -0.98572E+02 -0.98231E+02 653 0.115E+02
DAV: 4 -0.100215614849E+03 -0.46654E+01 -0.46527E+01 704 0.291E+01
DAV: 5 -0.100304998875E+03 -0.89384E-01 -0.89343E-01 728 0.367E+00 0.222E+01
DAV: 6 -0.916966834794E+02 0.86083E+01 -0.30922E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908920130649E+02 0.80467E+00 -0.18496E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905138605235E+02 0.37815E+00 -0.55195E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904279094066E+02 0.85951E-01 -0.13669E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904226450405E+02 0.52644E-02 -0.45463E-02 693 0.125E+00 0.317E-01
DAV: 11 -0.904263489723E+02 -0.37039E-02 -0.64711E-03 608 0.484E-01 0.144E-01
DAV: 12 -0.904298827233E+02 -0.35338E-02 -0.73393E-03 620 0.495E-01 0.132E-01
DAV: 13 -0.904326053418E+02 -0.27226E-02 -0.16641E-03 912 0.325E-01 0.762E-02
DAV: 14 -0.904356540124E+02 -0.30487E-02 -0.12707E-03 642 0.168E-01 0.587E-02
DAV: 15 -0.904377013936E+02 -0.20474E-02 -0.38039E-04 680 0.111E-01 0.445E-02
DAV: 16 -0.904392305175E+02 -0.15291E-02 -0.82048E-04 666 0.167E-01 0.366E-02
DAV: 17 -0.904399370320E+02 -0.70651E-03 -0.13672E-04 736 0.833E-02 0.240E-02
DAV: 18 -0.904401792635E+02 -0.24223E-03 -0.85906E-05 669 0.464E-02 0.852E-03
DAV: 19 -0.904403521339E+02 -0.17287E-03 -0.30396E-05 517 0.274E-02 0.557E-03
DAV: 20 -0.904403898957E+02 -0.37762E-04 -0.48791E-06 488 0.130E-02 0.691E-03
DAV: 21 -0.904404367396E+02 -0.46844E-04 -0.96861E-06 404 0.189E-02 0.394E-03
DAV: 22 -0.904404415632E+02 -0.48236E-05 -0.52916E-06 488 0.138E-02
1 F= -.90440442E+02 E0= -.90446528E+02 d E =0.182591E-01