./iterations/neb0_image02_iter269_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 0.365718180685E+03 0.36572E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.707289626678E+00 -0.36501E+03 -0.35425E+03 869 0.195E+02
DAV: 3 -0.956129091585E+02 -0.96320E+02 -0.95990E+02 632 0.115E+02
DAV: 4 -0.100224026300E+03 -0.46111E+01 -0.46011E+01 720 0.295E+01
DAV: 5 -0.100316420170E+03 -0.92394E-01 -0.92364E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916721575524E+02 0.86443E+01 -0.30922E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908496540836E+02 0.82250E+00 -0.18019E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904704337800E+02 0.37922E+00 -0.56025E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903872551058E+02 0.83179E-01 -0.13217E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.903830446233E+02 0.42105E-02 -0.47077E-02 712 0.122E+00 0.325E-01
DAV: 11 -0.903869258151E+02 -0.38812E-02 -0.74967E-03 621 0.597E-01 0.115E-01
DAV: 12 -0.903898700178E+02 -0.29442E-02 -0.60401E-03 632 0.396E-01 0.129E-01
DAV: 13 -0.903925813098E+02 -0.27113E-02 -0.17890E-03 869 0.320E-01 0.808E-02
DAV: 14 -0.903955632017E+02 -0.29819E-02 -0.11743E-03 615 0.160E-01 0.671E-02
DAV: 15 -0.903973740227E+02 -0.18108E-02 -0.32037E-04 688 0.109E-01 0.459E-02
DAV: 16 -0.903987752371E+02 -0.14012E-02 -0.85830E-04 672 0.169E-01 0.389E-02
DAV: 17 -0.903992959618E+02 -0.52072E-03 -0.13477E-04 824 0.840E-02 0.223E-02
DAV: 18 -0.903994961075E+02 -0.20015E-03 -0.55496E-05 680 0.388E-02 0.792E-03
DAV: 19 -0.903997708646E+02 -0.27476E-03 -0.38237E-05 566 0.273E-02 0.432E-03
DAV: 20 -0.903998106601E+02 -0.39796E-04 -0.35280E-06 520 0.117E-02 0.470E-03
DAV: 21 -0.903998619289E+02 -0.51269E-04 -0.92890E-06 398 0.158E-02 0.329E-03
DAV: 22 -0.903998698831E+02 -0.79542E-05 -0.29489E-06 488 0.102E-02
1 F= -.90399870E+02 E0= -.90406787E+02 d E =0.207502E-01