./iterations/neb0_image09_iter233_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 0.374135838439E+03 0.37414E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329484875444E+01 -0.37084E+03 -0.35823E+03 869 0.196E+02
DAV: 3 -0.967547758957E+02 -0.10005E+03 -0.99720E+02 661 0.117E+02
DAV: 4 -0.101284054476E+03 -0.45293E+01 -0.45186E+01 720 0.287E+01
DAV: 5 -0.101372682589E+03 -0.88628E-01 -0.88588E-01 720 0.364E+00 0.227E+01
DAV: 6 -0.926861592890E+02 0.86865E+01 -0.30976E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918114773106E+02 0.87468E+00 -0.17196E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914345423064E+02 0.37694E+00 -0.54726E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913537741147E+02 0.80768E-01 -0.13158E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913456139552E+02 0.81602E-02 -0.44311E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913500491135E+02 -0.44352E-02 -0.12103E-02 608 0.573E-01 0.135E-01
DAV: 12 -0.913532612876E+02 -0.32122E-02 -0.28889E-03 623 0.240E-01 0.111E-01
DAV: 13 -0.913567473125E+02 -0.34860E-02 -0.14227E-03 714 0.206E-01 0.408E-02
DAV: 14 -0.913599998989E+02 -0.32526E-02 -0.58688E-04 656 0.132E-01 0.355E-02
DAV: 15 -0.913614025820E+02 -0.14027E-02 -0.13280E-04 736 0.759E-02 0.314E-02
DAV: 16 -0.913628293420E+02 -0.14268E-02 -0.32809E-04 648 0.881E-02 0.190E-02
DAV: 17 -0.913631664514E+02 -0.33711E-03 -0.70935E-05 744 0.609E-02 0.117E-02
DAV: 18 -0.913634136693E+02 -0.24722E-03 -0.37494E-05 565 0.248E-02 0.928E-03
DAV: 19 -0.913634724210E+02 -0.58752E-04 -0.97655E-06 496 0.178E-02 0.346E-03
DAV: 20 -0.913635010193E+02 -0.28598E-04 -0.74605E-06 432 0.163E-02 0.237E-03
DAV: 21 -0.913635119289E+02 -0.10910E-04 -0.19115E-06 480 0.680E-03 0.239E-03
DAV: 22 -0.913635181424E+02 -0.62134E-05 -0.10246E-06 418 0.675E-03
1 F= -.91363518E+02 E0= -.91368360E+02 d E =0.145242E-01