iterations/neb0_image08_iter70_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 0.376697439117E+03 0.37670E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.474834038148E+01 -0.37195E+03 -0.35742E+03 861 0.196E+02
DAV: 3 -0.966919803963E+02 -0.10144E+03 -0.10111E+03 688 0.117E+02
DAV: 4 -0.101135959795E+03 -0.44440E+01 -0.44337E+01 696 0.278E+01
DAV: 5 -0.101222565947E+03 -0.86606E-01 -0.86569E-01 736 0.350E+00 0.228E+01
DAV: 6 -0.925758332728E+02 0.86467E+01 -0.30812E+01 698 0.303E+01 0.119E+01
DAV: 7 -0.917029824942E+02 0.87285E+00 -0.16933E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913218499583E+02 0.38113E+00 -0.55491E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912373336560E+02 0.84516E-01 -0.13082E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912277474527E+02 0.95862E-02 -0.48547E-02 728 0.114E+00 0.312E-01
DAV: 11 -0.912326694003E+02 -0.49219E-02 -0.15424E-02 608 0.644E-01 0.167E-01
DAV: 12 -0.912354225256E+02 -0.27531E-02 -0.31520E-03 636 0.246E-01 0.133E-01
DAV: 13 -0.912394460453E+02 -0.40235E-02 -0.27336E-03 677 0.293E-01 0.524E-02
DAV: 14 -0.912423181990E+02 -0.28722E-02 -0.47541E-04 656 0.121E-01 0.344E-02
DAV: 15 -0.912446220848E+02 -0.23039E-02 -0.22073E-04 645 0.597E-02 0.299E-02
DAV: 16 -0.912455088244E+02 -0.88674E-03 -0.16980E-04 669 0.642E-02 0.117E-02
DAV: 17 -0.912460518731E+02 -0.54305E-03 -0.43106E-05 567 0.284E-02 0.133E-02
DAV: 18 -0.912462617025E+02 -0.20983E-03 -0.27917E-05 552 0.238E-02 0.572E-03
DAV: 19 -0.912463110594E+02 -0.49357E-04 -0.66295E-06 456 0.151E-02 0.202E-03
DAV: 20 -0.912463381501E+02 -0.27091E-04 -0.43856E-06 439 0.110E-02 0.261E-03
DAV: 21 -0.912463512483E+02 -0.13098E-04 -0.17868E-06 440 0.631E-03 0.240E-03
DAV: 22 -0.912463523657E+02 -0.11174E-05 -0.93700E-07 536 0.634E-03
1 F= -.91246352E+02 E0= -.91251196E+02 d E =0.145309E-01