./iterations/neb0_image06_iter18_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 0.361481759698E+03 0.36148E+03 -0.14233E+04 632 0.799E+02
DAV: 2 0.312266764743E+01 -0.35836E+03 -0.34561E+03 877 0.193E+02
DAV: 3 -0.938714594139E+02 -0.96994E+02 -0.96485E+02 672 0.114E+02
DAV: 4 -0.984702743258E+02 -0.45988E+01 -0.45821E+01 712 0.279E+01
DAV: 5 -0.985675737699E+02 -0.97299E-01 -0.97264E-01 744 0.359E+00 0.217E+01
DAV: 6 -0.898705632430E+02 0.86970E+01 -0.32212E+01 688 0.310E+01 0.113E+01
DAV: 7 -0.890696039619E+02 0.80096E+00 -0.16663E+00 720 0.714E+00 0.488E+00
DAV: 8 -0.886771707203E+02 0.39243E+00 -0.70917E-01 704 0.468E+00 0.171E+00
DAV: 9 -0.885894661056E+02 0.87705E-01 -0.14764E-01 712 0.193E+00 0.542E-01
DAV: 10 -0.885779147528E+02 0.11551E-01 -0.21815E-02 744 0.778E-01 0.285E-01
DAV: 11 -0.885784680180E+02 -0.55327E-03 -0.13413E-02 664 0.706E-01 0.174E-01
DAV: 12 -0.885806716732E+02 -0.22037E-02 -0.34430E-03 688 0.403E-01 0.107E-01
DAV: 13 -0.885847666336E+02 -0.40950E-02 -0.27903E-03 615 0.270E-01 0.101E-01
DAV: 14 -0.885879655150E+02 -0.31989E-02 -0.11499E-03 653 0.194E-01 0.434E-02
DAV: 15 -0.885909886981E+02 -0.30232E-02 -0.92962E-04 656 0.178E-01 0.475E-02
DAV: 16 -0.885923595132E+02 -0.13708E-02 -0.27159E-04 720 0.108E-01 0.343E-02
DAV: 17 -0.885932330004E+02 -0.87349E-03 -0.37784E-04 717 0.124E-01 0.263E-02
DAV: 18 -0.885936969563E+02 -0.46396E-03 -0.96709E-05 709 0.650E-02 0.186E-02
DAV: 19 -0.885939090141E+02 -0.21206E-03 -0.52298E-05 653 0.412E-02 0.840E-03
DAV: 20 -0.885940313712E+02 -0.12236E-03 -0.19259E-05 445 0.273E-02 0.337E-03
DAV: 21 -0.885940916377E+02 -0.60267E-04 -0.82618E-06 453 0.136E-02 0.358E-03
DAV: 22 -0.885941163662E+02 -0.24728E-04 -0.39538E-06 426 0.117E-02 0.133E-03
DAV: 23 -0.885941251433E+02 -0.87771E-05 -0.19522E-06 437 0.648E-03
1 F= -.88594125E+02 E0= -.88598123E+02 d E =0.119927E-01