./iterations/neb0_image09_iter119_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 0.374663269046E+03 0.37466E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.247461257551E+01 -0.37219E+03 -0.35985E+03 877 0.196E+02
DAV: 3 -0.968295848904E+02 -0.99304E+02 -0.98969E+02 664 0.117E+02
DAV: 4 -0.101263226334E+03 -0.44336E+01 -0.44244E+01 704 0.284E+01
DAV: 5 -0.101349628257E+03 -0.86402E-01 -0.86364E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926771213895E+02 0.86725E+01 -0.30915E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.918047495150E+02 0.87237E+00 -0.17138E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914272804578E+02 0.37747E+00 -0.54160E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913446694325E+02 0.82611E-01 -0.13183E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913359013800E+02 0.87681E-02 -0.46362E-02 784 0.113E+00 0.305E-01
DAV: 11 -0.913403894895E+02 -0.44881E-02 -0.13478E-02 613 0.607E-01 0.145E-01
DAV: 12 -0.913432769352E+02 -0.28874E-02 -0.29637E-03 634 0.239E-01 0.117E-01
DAV: 13 -0.913471813002E+02 -0.39044E-02 -0.19366E-03 701 0.237E-01 0.444E-02
DAV: 14 -0.913505160820E+02 -0.33348E-02 -0.52963E-04 672 0.126E-01 0.301E-02
DAV: 15 -0.913520946657E+02 -0.15786E-02 -0.14228E-04 672 0.656E-02 0.315E-02
DAV: 16 -0.913532970125E+02 -0.12023E-02 -0.30028E-04 655 0.879E-02 0.187E-02
DAV: 17 -0.913535548256E+02 -0.25781E-03 -0.36231E-05 624 0.429E-02 0.131E-02
DAV: 18 -0.913537914775E+02 -0.23665E-03 -0.54804E-05 623 0.376E-02 0.106E-02
DAV: 19 -0.913538755970E+02 -0.84120E-04 -0.91594E-06 480 0.230E-02 0.522E-03
DAV: 20 -0.913539093406E+02 -0.33744E-04 -0.16894E-05 448 0.236E-02 0.406E-03
DAV: 21 -0.913539257262E+02 -0.16386E-04 -0.28237E-06 450 0.103E-02 0.292E-03
DAV: 22 -0.913539331447E+02 -0.74185E-05 -0.26431E-06 434 0.104E-02
1 F= -.91353933E+02 E0= -.91358701E+02 d E =0.143026E-01