./iterations/neb0_image05_iter66_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 0.373297330303E+03 0.37330E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.402473937323E+01 -0.36927E+03 -0.35726E+03 874 0.195E+02
DAV: 3 -0.938182710179E+02 -0.97843E+02 -0.97489E+02 640 0.116E+02
DAV: 4 -0.985231814150E+02 -0.47049E+01 -0.46918E+01 720 0.298E+01
DAV: 5 -0.986250008644E+02 -0.10182E+00 -0.10178E+00 728 0.390E+00 0.218E+01
DAV: 6 -0.903944239570E+02 0.82306E+01 -0.28720E+01 672 0.289E+01 0.112E+01
DAV: 7 -0.895519629157E+02 0.84246E+00 -0.17589E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891726065812E+02 0.37936E+00 -0.59969E-01 696 0.432E+00 0.154E+00
DAV: 9 -0.890894031019E+02 0.83203E-01 -0.12224E-01 712 0.157E+00 0.429E-01
DAV: 10 -0.890785181525E+02 0.10885E-01 -0.47641E-02 725 0.116E+00 0.329E-01
DAV: 11 -0.890809650522E+02 -0.24469E-02 -0.10326E-02 632 0.567E-01 0.119E-01
DAV: 12 -0.890832354253E+02 -0.22704E-02 -0.29132E-03 658 0.272E-01 0.111E-01
DAV: 13 -0.890885533065E+02 -0.53179E-02 -0.17291E-03 801 0.281E-01 0.633E-02
DAV: 14 -0.890910512934E+02 -0.24980E-02 -0.65988E-04 682 0.121E-01 0.409E-02
DAV: 15 -0.890942093799E+02 -0.31581E-02 -0.69976E-04 661 0.146E-01 0.318E-02
DAV: 16 -0.890950002468E+02 -0.79087E-03 -0.84607E-05 760 0.680E-02 0.165E-02
DAV: 17 -0.890960207010E+02 -0.10205E-02 -0.22274E-04 679 0.777E-02 0.173E-02
DAV: 18 -0.890962725297E+02 -0.25183E-03 -0.45495E-05 725 0.506E-02 0.731E-03
DAV: 19 -0.890964135166E+02 -0.14099E-03 -0.15549E-05 453 0.225E-02 0.434E-03
DAV: 20 -0.890965170830E+02 -0.10357E-03 -0.22166E-05 505 0.224E-02 0.456E-03
DAV: 21 -0.890965288284E+02 -0.11745E-04 -0.27879E-06 520 0.109E-02 0.425E-03
DAV: 22 -0.890965398292E+02 -0.11001E-04 -0.50494E-06 419 0.149E-02 0.336E-03
DAV: 23 -0.890965422713E+02 -0.24421E-05 -0.14738E-06 496 0.830E-03
1 F= -.89096542E+02 E0= -.89100414E+02 d E =0.116161E-01