./iterations/neb0_image01_iter176_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 0.365410594461E+03 0.36541E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.314617606231E+01 -0.36226E+03 -0.34933E+03 842 0.196E+02
DAV: 3 -0.955785826324E+02 -0.98725E+02 -0.98376E+02 669 0.116E+02
DAV: 4 -0.100205256230E+03 -0.46267E+01 -0.46157E+01 688 0.287E+01
DAV: 5 -0.100298337108E+03 -0.93081E-01 -0.93032E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916759500820E+02 0.86224E+01 -0.31025E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908795098413E+02 0.79644E+00 -0.18302E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905064246595E+02 0.37309E+00 -0.54683E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904242059139E+02 0.82219E-01 -0.13019E-01 720 0.170E+00 0.425E-01
DAV: 10 -0.904196881823E+02 0.45177E-02 -0.47273E-02 720 0.124E+00 0.326E-01
DAV: 11 -0.904239416169E+02 -0.42534E-02 -0.89010E-03 608 0.651E-01 0.115E-01
DAV: 12 -0.904269352707E+02 -0.29937E-02 -0.61077E-03 621 0.414E-01 0.128E-01
DAV: 13 -0.904295879976E+02 -0.26527E-02 -0.14491E-03 853 0.292E-01 0.789E-02
DAV: 14 -0.904330098903E+02 -0.34219E-02 -0.17435E-03 631 0.220E-01 0.765E-02
DAV: 15 -0.904343430648E+02 -0.13332E-02 -0.29471E-04 824 0.131E-01 0.538E-02
DAV: 16 -0.904357052969E+02 -0.13622E-02 -0.10765E-03 661 0.205E-01 0.396E-02
DAV: 17 -0.904365016890E+02 -0.79639E-03 -0.16974E-04 725 0.879E-02 0.324E-02
DAV: 18 -0.904366902709E+02 -0.18858E-03 -0.32341E-05 712 0.300E-02 0.250E-02
DAV: 19 -0.904370108845E+02 -0.32061E-03 -0.93053E-05 638 0.575E-02 0.968E-03
DAV: 20 -0.904370654963E+02 -0.54612E-04 -0.27178E-05 632 0.330E-02 0.673E-03
DAV: 21 -0.904370990336E+02 -0.33537E-04 -0.62397E-06 437 0.147E-02 0.722E-03
DAV: 22 -0.904371414589E+02 -0.42425E-04 -0.69119E-06 436 0.129E-02 0.537E-03
DAV: 23 -0.904371460456E+02 -0.45867E-05 -0.37859E-06 496 0.127E-02
1 F= -.90437146E+02 E0= -.90443962E+02 d E =0.204489E-01