iterations/neb0_image06_iter270_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 0.372944401121E+03 0.37294E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.521669665377E+01 -0.36773E+03 -0.35584E+03 845 0.194E+02
DAV: 3 -0.949669315013E+02 -0.10018E+03 -0.99787E+02 696 0.117E+02
DAV: 4 -0.994293494515E+02 -0.44624E+01 -0.44476E+01 712 0.273E+01
DAV: 5 -0.995216424907E+02 -0.92293E-01 -0.92242E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.911022090408E+02 0.84194E+01 -0.29804E+01 688 0.303E+01 0.116E+01
DAV: 7 -0.903049789011E+02 0.79723E+00 -0.17177E+00 712 0.636E+00 0.480E+00
DAV: 8 -0.899317386551E+02 0.37324E+00 -0.56008E-01 704 0.417E+00 0.167E+00
DAV: 9 -0.898417205320E+02 0.90018E-01 -0.12886E-01 704 0.166E+00 0.436E-01
DAV: 10 -0.898319788085E+02 0.97417E-02 -0.35303E-02 773 0.916E-01 0.294E-01
DAV: 11 -0.898359779541E+02 -0.39991E-02 -0.13595E-02 608 0.672E-01 0.195E-01
DAV: 12 -0.898367006907E+02 -0.72274E-03 -0.41537E-03 736 0.410E-01 0.100E-01
DAV: 13 -0.898414321962E+02 -0.47315E-02 -0.35602E-03 603 0.341E-01 0.946E-02
DAV: 14 -0.898428801762E+02 -0.14480E-02 -0.47304E-04 792 0.172E-01 0.530E-02
DAV: 15 -0.898463117181E+02 -0.34315E-02 -0.13301E-03 675 0.214E-01 0.483E-02
DAV: 16 -0.898480649178E+02 -0.17532E-02 -0.40207E-04 936 0.149E-01 0.194E-02
DAV: 17 -0.898489222271E+02 -0.85731E-03 -0.12694E-04 684 0.531E-02 0.136E-02
DAV: 18 -0.898494830869E+02 -0.56086E-03 -0.71109E-05 615 0.344E-02 0.117E-02
DAV: 19 -0.898496033086E+02 -0.12022E-03 -0.11909E-05 504 0.282E-02 0.534E-03
DAV: 20 -0.898497032937E+02 -0.99985E-04 -0.32999E-05 515 0.286E-02 0.680E-03
DAV: 21 -0.898497173634E+02 -0.14070E-04 -0.28509E-06 496 0.143E-02 0.366E-03
DAV: 22 -0.898497311899E+02 -0.13827E-04 -0.54291E-06 392 0.135E-02 0.136E-03
DAV: 23 -0.898497367856E+02 -0.55957E-05 -0.13289E-06 477 0.540E-03
1 F= -.89849737E+02 E0= -.89854256E+02 d E =0.135575E-01