iterations/neb0_image06_iter291_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 0.375581236486E+03 0.37558E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.544280960726E+01 -0.37014E+03 -0.35766E+03 869 0.195E+02
DAV: 3 -0.942212665899E+02 -0.99664E+02 -0.99254E+02 648 0.116E+02
DAV: 4 -0.990121176572E+02 -0.47909E+01 -0.47712E+01 712 0.296E+01
DAV: 5 -0.991097182380E+02 -0.97601E-01 -0.97546E-01 720 0.382E+00 0.223E+01
DAV: 6 -0.907081345812E+02 0.84016E+01 -0.29741E+01 704 0.303E+01 0.116E+01
DAV: 7 -0.898707347033E+02 0.83740E+00 -0.16776E+00 712 0.638E+00 0.482E+00
DAV: 8 -0.894746367035E+02 0.39610E+00 -0.59293E-01 704 0.426E+00 0.159E+00
DAV: 9 -0.893851807000E+02 0.89456E-01 -0.12688E-01 720 0.162E+00 0.441E-01
DAV: 10 -0.893744661429E+02 0.10715E-01 -0.38889E-02 712 0.984E-01 0.302E-01
DAV: 11 -0.893779180006E+02 -0.34519E-02 -0.10492E-02 608 0.567E-01 0.160E-01
DAV: 12 -0.893796880633E+02 -0.17701E-02 -0.28632E-03 680 0.344E-01 0.924E-02
DAV: 13 -0.893842396739E+02 -0.45516E-02 -0.27773E-03 612 0.265E-01 0.876E-02
DAV: 14 -0.893866176026E+02 -0.23779E-02 -0.83430E-04 888 0.233E-01 0.350E-02
DAV: 15 -0.893896186523E+02 -0.30010E-02 -0.55117E-04 626 0.117E-01 0.361E-02
DAV: 16 -0.893915761907E+02 -0.19575E-02 -0.20833E-04 693 0.810E-02 0.195E-02
DAV: 17 -0.893927687023E+02 -0.11925E-02 -0.27127E-04 677 0.826E-02 0.209E-02
DAV: 18 -0.893930754677E+02 -0.30677E-03 -0.54989E-05 664 0.516E-02 0.684E-03
DAV: 19 -0.893931434472E+02 -0.67979E-04 -0.18282E-05 512 0.244E-02 0.283E-03
DAV: 20 -0.893932215176E+02 -0.78070E-04 -0.89813E-06 433 0.123E-02 0.321E-03
DAV: 21 -0.893932376377E+02 -0.16120E-04 -0.14721E-06 488 0.605E-03 0.247E-03
DAV: 22 -0.893932513377E+02 -0.13700E-04 -0.30907E-06 395 0.988E-03 0.123E-03
DAV: 23 -0.893932520018E+02 -0.66408E-06 -0.61388E-07 536 0.456E-03
1 F= -.89393252E+02 E0= -.89399482E+02 d E =0.186892E-01