./iterations/neb0_image09_iter220_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 0.374059019114E+03 0.37406E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329364850997E+01 -0.37077E+03 -0.35813E+03 869 0.196E+02
DAV: 3 -0.967250802803E+02 -0.10002E+03 -0.99689E+02 661 0.117E+02
DAV: 4 -0.101258451967E+03 -0.45334E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101347425984E+03 -0.88974E-01 -0.88933E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926777845829E+02 0.86696E+01 -0.30985E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918102864927E+02 0.86750E+00 -0.17153E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914346339619E+02 0.37565E+00 -0.54492E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913537964409E+02 0.80838E-01 -0.13142E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913456199559E+02 0.81765E-02 -0.44229E-02 768 0.109E+00 0.300E-01
DAV: 11 -0.913500115898E+02 -0.43916E-02 -0.11918E-02 608 0.569E-01 0.133E-01
DAV: 12 -0.913532038995E+02 -0.31923E-02 -0.28369E-03 623 0.245E-01 0.107E-01
DAV: 13 -0.913567000985E+02 -0.34962E-02 -0.12542E-03 663 0.192E-01 0.439E-02
DAV: 14 -0.913601241248E+02 -0.34240E-02 -0.75839E-04 656 0.158E-01 0.366E-02
DAV: 15 -0.913612372420E+02 -0.11131E-02 -0.12765E-04 768 0.794E-02 0.333E-02
DAV: 16 -0.913626939649E+02 -0.14567E-02 -0.33991E-04 634 0.954E-02 0.173E-02
DAV: 17 -0.913631340543E+02 -0.44009E-03 -0.63115E-05 680 0.561E-02 0.131E-02
DAV: 18 -0.913633576022E+02 -0.22355E-03 -0.36682E-05 565 0.278E-02 0.864E-03
DAV: 19 -0.913634417577E+02 -0.84155E-04 -0.98714E-06 488 0.152E-02 0.425E-03
DAV: 20 -0.913634743852E+02 -0.32628E-04 -0.50124E-06 432 0.132E-02 0.187E-03
DAV: 21 -0.913634926248E+02 -0.18240E-04 -0.37319E-06 442 0.887E-03 0.195E-03
DAV: 22 -0.913634950825E+02 -0.24577E-05 -0.59220E-07 504 0.419E-03
1 F= -.91363495E+02 E0= -.91368348E+02 d E =0.145578E-01