iterations/neb0_image05_iter158_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 0.366072240545E+03 0.36607E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.162150313150E+01 -0.36445E+03 -0.35125E+03 869 0.193E+02
DAV: 3 -0.952928940854E+02 -0.96914E+02 -0.96574E+02 664 0.115E+02
DAV: 4 -0.997074330689E+02 -0.44145E+01 -0.44043E+01 712 0.282E+01
DAV: 5 -0.997961479804E+02 -0.88715E-01 -0.88676E-01 728 0.357E+00 0.219E+01
DAV: 6 -0.914064387681E+02 0.83897E+01 -0.30359E+01 672 0.297E+01 0.115E+01
DAV: 7 -0.906296647706E+02 0.77677E+00 -0.17742E+00 728 0.629E+00 0.479E+00
DAV: 8 -0.902568937082E+02 0.37277E+00 -0.54332E-01 720 0.423E+00 0.167E+00
DAV: 9 -0.901671951978E+02 0.89699E-01 -0.12770E-01 720 0.159E+00 0.426E-01
DAV: 10 -0.901588216541E+02 0.83735E-02 -0.48375E-02 712 0.120E+00 0.324E-01
DAV: 11 -0.901624142986E+02 -0.35926E-02 -0.67800E-03 624 0.519E-01 0.131E-01
DAV: 12 -0.901653911529E+02 -0.29769E-02 -0.63976E-03 621 0.435E-01 0.146E-01
DAV: 13 -0.901671431564E+02 -0.17520E-02 -0.17780E-03 853 0.289E-01 0.720E-02
DAV: 14 -0.901709670097E+02 -0.38239E-02 -0.13175E-03 636 0.163E-01 0.478E-02
DAV: 15 -0.901735715902E+02 -0.26046E-02 -0.30472E-04 701 0.837E-02 0.429E-02
DAV: 16 -0.901753439929E+02 -0.17724E-02 -0.45266E-04 668 0.117E-01 0.213E-02
DAV: 17 -0.901760180927E+02 -0.67410E-03 -0.97725E-05 704 0.619E-02 0.225E-02
DAV: 18 -0.901762755155E+02 -0.25742E-03 -0.55471E-05 680 0.410E-02 0.116E-02
DAV: 19 -0.901764725792E+02 -0.19706E-03 -0.21491E-05 527 0.303E-02 0.627E-03
DAV: 20 -0.901765707782E+02 -0.98199E-04 -0.14047E-05 472 0.174E-02 0.459E-03
DAV: 21 -0.901765998724E+02 -0.29094E-04 -0.50747E-06 458 0.148E-02 0.301E-03
DAV: 22 -0.901766126166E+02 -0.12744E-04 -0.84432E-06 450 0.182E-02 0.571E-03
DAV: 23 -0.901766155790E+02 -0.29624E-05 -0.19646E-06 442 0.963E-03
1 F= -.90176616E+02 E0= -.90185045E+02 d E =0.252882E-01