./iterations/neb0_image09_iter88_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 0.374521710855E+03 0.37452E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.250634102728E+01 -0.37202E+03 -0.35966E+03 877 0.196E+02
DAV: 3 -0.966817617911E+02 -0.99188E+02 -0.98849E+02 656 0.117E+02
DAV: 4 -0.101223148352E+03 -0.45414E+01 -0.45320E+01 696 0.289E+01
DAV: 5 -0.101313184430E+03 -0.90036E-01 -0.89997E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926666013923E+02 0.86466E+01 -0.30840E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918007972319E+02 0.86580E+00 -0.17134E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914239090852E+02 0.37689E+00 -0.54578E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913417284302E+02 0.82181E-01 -0.13057E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913328514052E+02 0.88770E-02 -0.45816E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913373675990E+02 -0.45162E-02 -0.13015E-02 610 0.594E-01 0.144E-01
DAV: 12 -0.913403430737E+02 -0.29755E-02 -0.30254E-03 623 0.244E-01 0.115E-01
DAV: 13 -0.913441325402E+02 -0.37895E-02 -0.15660E-03 725 0.218E-01 0.432E-02
DAV: 14 -0.913475223207E+02 -0.33898E-02 -0.58446E-04 664 0.129E-01 0.354E-02
DAV: 15 -0.913490404646E+02 -0.15181E-02 -0.15189E-04 720 0.766E-02 0.357E-02
DAV: 16 -0.913503028328E+02 -0.12624E-02 -0.34922E-04 647 0.928E-02 0.201E-02
DAV: 17 -0.913505793603E+02 -0.27653E-03 -0.56538E-05 688 0.551E-02 0.127E-02
DAV: 18 -0.913508483524E+02 -0.26899E-03 -0.46766E-05 559 0.300E-02 0.107E-02
DAV: 19 -0.913509022939E+02 -0.53941E-04 -0.72876E-06 496 0.170E-02 0.484E-03
DAV: 20 -0.913509395273E+02 -0.37233E-04 -0.12587E-05 410 0.219E-02 0.324E-03
DAV: 21 -0.913509524278E+02 -0.12900E-04 -0.26131E-06 472 0.859E-03 0.319E-03
DAV: 22 -0.913509593330E+02 -0.69053E-05 -0.14268E-06 401 0.779E-03
1 F= -.91350959E+02 E0= -.91355796E+02 d E =0.145100E-01