./iterations/neb0_image09_iter149_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 0.374578598215E+03 0.37458E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.328334640695E+01 -0.37130E+03 -0.35844E+03 869 0.196E+02
DAV: 3 -0.968459817290E+02 -0.10013E+03 -0.99799E+02 669 0.117E+02
DAV: 4 -0.101293641571E+03 -0.44477E+01 -0.44374E+01 720 0.283E+01
DAV: 5 -0.101379531834E+03 -0.85890E-01 -0.85851E-01 728 0.358E+00 0.228E+01
DAV: 6 -0.926788737219E+02 0.87007E+01 -0.30979E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.917950400940E+02 0.88383E+00 -0.17236E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914164713596E+02 0.37857E+00 -0.53766E-01 712 0.393E+00 0.163E+00
DAV: 9 -0.913347424088E+02 0.81729E-01 -0.13456E-01 712 0.157E+00 0.426E-01
DAV: 10 -0.913266529006E+02 0.80895E-02 -0.45507E-02 792 0.114E+00 0.303E-01
DAV: 11 -0.913307085746E+02 -0.40557E-02 -0.12097E-02 616 0.581E-01 0.128E-01
DAV: 12 -0.913338686085E+02 -0.31600E-02 -0.28746E-03 626 0.243E-01 0.116E-01
DAV: 13 -0.913376617715E+02 -0.37932E-02 -0.16343E-03 672 0.222E-01 0.427E-02
DAV: 14 -0.913406779573E+02 -0.30162E-02 -0.52774E-04 664 0.124E-01 0.346E-02
DAV: 15 -0.913424834002E+02 -0.18054E-02 -0.14779E-04 688 0.655E-02 0.330E-02
DAV: 16 -0.913437406963E+02 -0.12573E-02 -0.32979E-04 650 0.892E-02 0.184E-02
DAV: 17 -0.913441217998E+02 -0.38110E-03 -0.44930E-05 688 0.411E-02 0.115E-02
DAV: 18 -0.913443604129E+02 -0.23861E-03 -0.38323E-05 568 0.268E-02 0.726E-03
DAV: 19 -0.913444079997E+02 -0.47587E-04 -0.48579E-06 504 0.160E-02 0.310E-03
DAV: 20 -0.913444457504E+02 -0.37751E-04 -0.97413E-06 415 0.184E-02 0.378E-03
DAV: 21 -0.913444586259E+02 -0.12875E-04 -0.21679E-06 464 0.891E-03 0.289E-03
DAV: 22 -0.913444616179E+02 -0.29921E-05 -0.17186E-06 496 0.860E-03
1 F= -.91344462E+02 E0= -.91348996E+02 d E =0.136030E-01