./iterations/neb0_image09_iter226_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 0.373924910759E+03 0.37392E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329231756698E+01 -0.37063E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.967115860519E+02 -0.10000E+03 -0.99675E+02 661 0.117E+02
DAV: 4 -0.101243906062E+03 -0.45323E+01 -0.45216E+01 720 0.287E+01
DAV: 5 -0.101333044950E+03 -0.89139E-01 -0.89098E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926706816855E+02 0.86624E+01 -0.30987E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918077731609E+02 0.86291E+00 -0.17165E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914329719890E+02 0.37480E+00 -0.54527E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913523164589E+02 0.80656E-01 -0.13169E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.913442006598E+02 0.81158E-02 -0.43350E-02 744 0.108E+00 0.298E-01
DAV: 11 -0.913485365910E+02 -0.43359E-02 -0.11477E-02 608 0.554E-01 0.131E-01
DAV: 12 -0.913518658886E+02 -0.33293E-02 -0.28723E-03 623 0.244E-01 0.107E-01
DAV: 13 -0.913552351642E+02 -0.33693E-02 -0.11065E-03 674 0.185E-01 0.433E-02
DAV: 14 -0.913584444541E+02 -0.32093E-02 -0.75375E-04 656 0.146E-01 0.393E-02
DAV: 15 -0.913597758532E+02 -0.13314E-02 -0.13939E-04 752 0.824E-02 0.324E-02
DAV: 16 -0.913612715083E+02 -0.14957E-02 -0.31887E-04 645 0.852E-02 0.167E-02
DAV: 17 -0.913617282947E+02 -0.45679E-03 -0.65759E-05 680 0.534E-02 0.123E-02
DAV: 18 -0.913619720234E+02 -0.24373E-03 -0.43594E-05 565 0.290E-02 0.906E-03
DAV: 19 -0.913620087805E+02 -0.36757E-04 -0.65704E-06 512 0.161E-02 0.437E-03
DAV: 20 -0.913620391283E+02 -0.30348E-04 -0.82707E-06 418 0.179E-02 0.209E-03
DAV: 21 -0.913620503789E+02 -0.11251E-04 -0.22273E-06 480 0.740E-03 0.261E-03
DAV: 22 -0.913620548954E+02 -0.45165E-05 -0.53057E-07 440 0.464E-03
1 F= -.91362055E+02 E0= -.91366756E+02 d E =0.141020E-01