./iterations/neb0_image02_iter205_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 0.366920611411E+03 0.36692E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.210351726014E+01 -0.36482E+03 -0.35282E+03 858 0.196E+02
DAV: 3 -0.956546991901E+02 -0.97758E+02 -0.97428E+02 648 0.116E+02
DAV: 4 -0.100253924813E+03 -0.45992E+01 -0.45886E+01 712 0.291E+01
DAV: 5 -0.100343612152E+03 -0.89687E-01 -0.89649E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916753880029E+02 0.86682E+01 -0.30976E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908554199503E+02 0.81997E+00 -0.18351E+00 728 0.636E+00 0.484E+00
DAV: 8 -0.904744284249E+02 0.38099E+00 -0.54982E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903881711057E+02 0.86257E-01 -0.13737E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903830414187E+02 0.51297E-02 -0.49647E-02 704 0.127E+00 0.331E-01
DAV: 11 -0.903867240759E+02 -0.36827E-02 -0.81253E-03 616 0.605E-01 0.120E-01
DAV: 12 -0.903897044306E+02 -0.29804E-02 -0.67317E-03 648 0.413E-01 0.135E-01
DAV: 13 -0.903922829538E+02 -0.25785E-02 -0.19092E-03 864 0.340E-01 0.823E-02
DAV: 14 -0.903955142593E+02 -0.32313E-02 -0.13926E-03 621 0.175E-01 0.709E-02
DAV: 15 -0.903973209843E+02 -0.18067E-02 -0.30982E-04 696 0.105E-01 0.527E-02
DAV: 16 -0.903988216155E+02 -0.15006E-02 -0.10593E-03 680 0.191E-01 0.406E-02
DAV: 17 -0.903994882098E+02 -0.66659E-03 -0.15658E-04 744 0.868E-02 0.263E-02
DAV: 18 -0.903997862664E+02 -0.29806E-03 -0.78219E-05 672 0.425E-02 0.102E-02
DAV: 19 -0.903999673330E+02 -0.18107E-03 -0.44464E-05 652 0.343E-02 0.717E-03
DAV: 20 -0.903999958541E+02 -0.28521E-04 -0.40760E-06 504 0.143E-02 0.552E-03
DAV: 21 -0.904000526442E+02 -0.56790E-04 -0.12644E-05 428 0.189E-02 0.314E-03
DAV: 22 -0.904000587878E+02 -0.61437E-05 -0.34773E-06 496 0.109E-02
1 F= -.90400059E+02 E0= -.90406816E+02 d E =0.202731E-01