./iterations/neb0_image02_iter246_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 0.365933742839E+03 0.36593E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.273589233175E+00 -0.36566E+03 -0.35508E+03 877 0.195E+02
DAV: 3 -0.956854301063E+02 -0.95959E+02 -0.95631E+02 629 0.115E+02
DAV: 4 -0.100228281233E+03 -0.45429E+01 -0.45323E+01 712 0.294E+01
DAV: 5 -0.100318557386E+03 -0.90276E-01 -0.90248E-01 744 0.372E+00 0.222E+01
DAV: 6 -0.916638974726E+02 0.86547E+01 -0.31074E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908522770740E+02 0.81162E+00 -0.18133E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904724802108E+02 0.37980E+00 -0.55280E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903871120888E+02 0.85368E-01 -0.13558E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903825009382E+02 0.46112E-02 -0.48927E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903862198060E+02 -0.37189E-02 -0.76948E-03 632 0.595E-01 0.119E-01
DAV: 12 -0.903893139964E+02 -0.30942E-02 -0.66746E-03 632 0.417E-01 0.135E-01
DAV: 13 -0.903919086457E+02 -0.25946E-02 -0.19165E-03 861 0.336E-01 0.816E-02
DAV: 14 -0.903949950279E+02 -0.30864E-02 -0.13394E-03 615 0.172E-01 0.706E-02
DAV: 15 -0.903967839406E+02 -0.17889E-02 -0.31245E-04 680 0.102E-01 0.540E-02
DAV: 16 -0.903982014139E+02 -0.14175E-02 -0.10518E-03 677 0.191E-01 0.395E-02
DAV: 17 -0.903988089883E+02 -0.60757E-03 -0.12923E-04 680 0.797E-02 0.285E-02
DAV: 18 -0.903991323913E+02 -0.32340E-03 -0.10950E-04 672 0.526E-02 0.816E-03
DAV: 19 -0.903993149856E+02 -0.18259E-03 -0.34987E-05 591 0.292E-02 0.746E-03
DAV: 20 -0.903993471967E+02 -0.32211E-04 -0.29672E-06 504 0.119E-02 0.611E-03
DAV: 21 -0.903994025230E+02 -0.55326E-04 -0.15508E-05 436 0.217E-02 0.367E-03
DAV: 22 -0.903994067360E+02 -0.42130E-05 -0.36797E-06 496 0.113E-02
1 F= -.90399407E+02 E0= -.90406268E+02 d E =0.205828E-01