iterations/neb0_image01_iter63_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 0.366393761982E+03 0.36639E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.341796244502E+01 -0.36298E+03 -0.34953E+03 839 0.195E+02
DAV: 3 -0.957501091711E+02 -0.99168E+02 -0.98827E+02 688 0.116E+02
DAV: 4 -0.100169608913E+03 -0.44195E+01 -0.44103E+01 685 0.278E+01
DAV: 5 -0.100257468609E+03 -0.87860E-01 -0.87808E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916704701839E+02 0.85870E+01 -0.31118E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908584115867E+02 0.81206E+00 -0.18120E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904771445718E+02 0.38127E+00 -0.56088E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.903926207045E+02 0.84524E-01 -0.13684E-01 712 0.164E+00 0.431E-01
DAV: 10 -0.903869615496E+02 0.56592E-02 -0.44837E-02 720 0.126E+00 0.315E-01
DAV: 11 -0.903906673355E+02 -0.37058E-02 -0.65879E-03 616 0.463E-01 0.153E-01
DAV: 12 -0.903941069868E+02 -0.34397E-02 -0.68996E-03 616 0.491E-01 0.123E-01
DAV: 13 -0.903970268385E+02 -0.29199E-02 -0.11528E-03 776 0.287E-01 0.792E-02
DAV: 14 -0.903999046815E+02 -0.28778E-02 -0.16735E-03 631 0.199E-01 0.598E-02
DAV: 15 -0.904021779841E+02 -0.22733E-02 -0.48517E-04 760 0.150E-01 0.408E-02
DAV: 16 -0.904032472125E+02 -0.10692E-02 -0.49415E-04 661 0.123E-01 0.337E-02
DAV: 17 -0.904041778703E+02 -0.93066E-03 -0.17183E-04 729 0.854E-02 0.202E-02
DAV: 18 -0.904043882490E+02 -0.21038E-03 -0.55333E-05 696 0.376E-02 0.134E-02
DAV: 19 -0.904046279717E+02 -0.23972E-03 -0.44356E-05 569 0.338E-02 0.460E-03
DAV: 20 -0.904046885339E+02 -0.60562E-04 -0.49208E-06 480 0.128E-02 0.388E-03
DAV: 21 -0.904047309411E+02 -0.42407E-04 -0.67574E-06 411 0.126E-02 0.159E-03
DAV: 22 -0.904047444201E+02 -0.13479E-04 -0.26362E-06 469 0.712E-03 0.138E-03
DAV: 23 -0.904047459968E+02 -0.15767E-05 -0.45870E-07 528 0.341E-03
1 F= -.90404746E+02 E0= -.90410077E+02 d E =0.159933E-01