./iterations/neb0_image07_iter212_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 0.370640135523E+03 0.37064E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.361679260210E+01 -0.36702E+03 -0.35501E+03 869 0.194E+02
DAV: 3 -0.966589397690E+02 -0.10028E+03 -0.99979E+02 704 0.116E+02
DAV: 4 -0.101066119182E+03 -0.44072E+01 -0.43954E+01 704 0.273E+01
DAV: 5 -0.101154031447E+03 -0.87912E-01 -0.87859E-01 736 0.345E+00 0.226E+01
DAV: 6 -0.925630612641E+02 0.85910E+01 -0.30763E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917194474763E+02 0.84361E+00 -0.17316E+00 720 0.619E+00 0.479E+00
DAV: 8 -0.913467828248E+02 0.37266E+00 -0.54230E-01 728 0.397E+00 0.162E+00
DAV: 9 -0.912656567538E+02 0.81126E-01 -0.12949E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912569811095E+02 0.86756E-02 -0.39723E-02 725 0.102E+00 0.284E-01
DAV: 11 -0.912614007004E+02 -0.44196E-02 -0.11226E-02 616 0.554E-01 0.144E-01
DAV: 12 -0.912643109242E+02 -0.29102E-02 -0.23024E-03 632 0.242E-01 0.924E-02
DAV: 13 -0.912682344335E+02 -0.39235E-02 -0.16697E-03 626 0.205E-01 0.512E-02
DAV: 14 -0.912708607887E+02 -0.26264E-02 -0.56723E-04 760 0.187E-01 0.342E-02
DAV: 15 -0.912728965618E+02 -0.20358E-02 -0.35143E-04 650 0.945E-02 0.313E-02
DAV: 16 -0.912738083405E+02 -0.91178E-03 -0.14884E-04 760 0.792E-02 0.142E-02
DAV: 17 -0.912746062816E+02 -0.79794E-03 -0.11641E-04 717 0.546E-02 0.145E-02
DAV: 18 -0.912748083384E+02 -0.20206E-03 -0.16203E-05 496 0.274E-02 0.868E-03
DAV: 19 -0.912749646659E+02 -0.15633E-03 -0.48394E-05 609 0.370E-02 0.807E-03
DAV: 20 -0.912749800359E+02 -0.15370E-04 -0.45619E-06 520 0.202E-02 0.388E-03
DAV: 21 -0.912749958138E+02 -0.15778E-04 -0.47176E-06 409 0.118E-02 0.144E-03
DAV: 22 -0.912750117758E+02 -0.15962E-04 -0.30936E-06 425 0.957E-03 0.183E-03
DAV: 23 -0.912750136426E+02 -0.18669E-05 -0.89057E-07 504 0.474E-03
1 F= -.91275014E+02 E0= -.91280570E+02 d E =0.166678E-01