iterations/neb0_image02_iter288_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 0.365880801890E+03 0.36588E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.107904791591E+01 -0.36480E+03 -0.35308E+03 869 0.196E+02
DAV: 3 -0.955898897040E+02 -0.96669E+02 -0.96337E+02 632 0.115E+02
DAV: 4 -0.100268709058E+03 -0.46788E+01 -0.46680E+01 704 0.296E+01
DAV: 5 -0.100361667344E+03 -0.92958E-01 -0.92921E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916753614874E+02 0.86863E+01 -0.30936E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908500146338E+02 0.82535E+00 -0.18172E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904710567532E+02 0.37896E+00 -0.55068E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903879995420E+02 0.83057E-01 -0.13356E-01 720 0.169E+00 0.426E-01
DAV: 10 -0.903842598019E+02 0.37397E-02 -0.48907E-02 712 0.126E+00 0.330E-01
DAV: 11 -0.903883448502E+02 -0.40850E-02 -0.91334E-03 621 0.646E-01 0.112E-01
DAV: 12 -0.903913025852E+02 -0.29577E-02 -0.62636E-03 632 0.396E-01 0.136E-01
DAV: 13 -0.903937614800E+02 -0.24589E-02 -0.19767E-03 861 0.337E-01 0.811E-02
DAV: 14 -0.903969514410E+02 -0.31900E-02 -0.14848E-03 631 0.197E-01 0.781E-02
DAV: 15 -0.903984033034E+02 -0.14519E-02 -0.24827E-04 744 0.103E-01 0.582E-02
DAV: 16 -0.903997822271E+02 -0.13789E-02 -0.11697E-03 656 0.209E-01 0.395E-02
DAV: 17 -0.904004214210E+02 -0.63919E-03 -0.13441E-04 688 0.803E-02 0.327E-02
DAV: 18 -0.904007130175E+02 -0.29160E-03 -0.63118E-05 672 0.393E-02 0.196E-02
DAV: 19 -0.904009266539E+02 -0.21364E-03 -0.91387E-05 638 0.538E-02 0.736E-03
DAV: 20 -0.904009547797E+02 -0.28126E-04 -0.11178E-05 512 0.222E-02 0.828E-03
DAV: 21 -0.904009954920E+02 -0.40712E-04 -0.94112E-06 415 0.171E-02 0.595E-03
DAV: 22 -0.904010081153E+02 -0.12623E-04 -0.59842E-06 480 0.184E-02 0.259E-03
DAV: 23 -0.904010101799E+02 -0.20646E-05 -0.35351E-06 528 0.109E-02
1 F= -.90401010E+02 E0= -.90407134E+02 d E =0.183729E-01