iterations/neb0_image06_iter26_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 0.367339106163E+03 0.36734E+03 -0.14270E+04 632 0.799E+02
DAV: 2 0.372681391812E+01 -0.36361E+03 -0.35009E+03 869 0.194E+02
DAV: 3 -0.946360371648E+02 -0.98363E+02 -0.97963E+02 672 0.115E+02
DAV: 4 -0.990926405620E+02 -0.44566E+01 -0.44438E+01 712 0.279E+01
DAV: 5 -0.991841937209E+02 -0.91553E-01 -0.91525E-01 728 0.355E+00 0.220E+01
DAV: 6 -0.905536936784E+02 0.86305E+01 -0.31008E+01 709 0.303E+01 0.114E+01
DAV: 7 -0.897251087237E+02 0.82858E+00 -0.16697E+00 712 0.672E+00 0.478E+00
DAV: 8 -0.893458805208E+02 0.37923E+00 -0.60287E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.892588535806E+02 0.87027E-01 -0.13693E-01 717 0.182E+00 0.496E-01
DAV: 10 -0.892484814094E+02 0.10372E-01 -0.20628E-02 792 0.827E-01 0.281E-01
DAV: 11 -0.892497920247E+02 -0.13106E-02 -0.12121E-02 602 0.580E-01 0.170E-01
DAV: 12 -0.892526537443E+02 -0.28617E-02 -0.32211E-03 868 0.484E-01 0.116E-01
DAV: 13 -0.892559527335E+02 -0.32990E-02 -0.29592E-03 617 0.314E-01 0.110E-01
DAV: 14 -0.892586537412E+02 -0.27010E-02 -0.99887E-04 661 0.167E-01 0.602E-02
DAV: 15 -0.892616181544E+02 -0.29644E-02 -0.92761E-04 656 0.157E-01 0.420E-02
DAV: 16 -0.892636734261E+02 -0.20553E-02 -0.25735E-04 685 0.825E-02 0.174E-02
DAV: 17 -0.892646384537E+02 -0.96503E-03 -0.64711E-05 610 0.419E-02 0.976E-03
DAV: 18 -0.892653291674E+02 -0.69071E-03 -0.89409E-05 649 0.387E-02 0.105E-02
DAV: 19 -0.892654359506E+02 -0.10678E-03 -0.85007E-06 512 0.237E-02 0.517E-03
DAV: 20 -0.892655604352E+02 -0.12448E-03 -0.23451E-05 475 0.208E-02 0.489E-03
DAV: 21 -0.892655761758E+02 -0.15741E-04 -0.17939E-06 509 0.101E-02 0.225E-03
DAV: 22 -0.892655997946E+02 -0.23619E-04 -0.52171E-06 386 0.120E-02 0.240E-03
DAV: 23 -0.892656046208E+02 -0.48262E-05 -0.95051E-07 485 0.520E-03
1 F= -.89265605E+02 E0= -.89276147E+02 d E =0.316271E-01