iterations/neb0_image07_iter257_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 0.371953362774E+03 0.37195E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.378086348366E+01 -0.36817E+03 -0.35651E+03 869 0.194E+02
DAV: 3 -0.967000581856E+02 -0.10048E+03 -0.10016E+03 693 0.116E+02
DAV: 4 -0.101204949948E+03 -0.45049E+01 -0.44937E+01 704 0.280E+01
DAV: 5 -0.101293330503E+03 -0.88381E-01 -0.88331E-01 736 0.354E+00 0.228E+01
DAV: 6 -0.926203982295E+02 0.86729E+01 -0.30934E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917625767732E+02 0.85782E+00 -0.17324E+00 736 0.617E+00 0.481E+00
DAV: 8 -0.913864334586E+02 0.37614E+00 -0.53863E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.913039497828E+02 0.82484E-01 -0.12994E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912948579266E+02 0.90919E-02 -0.42984E-02 757 0.106E+00 0.297E-01
DAV: 11 -0.912995070311E+02 -0.46491E-02 -0.13568E-02 608 0.605E-01 0.155E-01
DAV: 12 -0.913023575016E+02 -0.28505E-02 -0.28041E-03 620 0.264E-01 0.914E-02
DAV: 13 -0.913061248525E+02 -0.37674E-02 -0.16528E-03 633 0.196E-01 0.509E-02
DAV: 14 -0.913094710739E+02 -0.33462E-02 -0.97206E-04 722 0.226E-01 0.480E-02
DAV: 15 -0.913109578452E+02 -0.14868E-02 -0.41503E-04 672 0.114E-01 0.343E-02
DAV: 16 -0.913117721853E+02 -0.81434E-03 -0.16266E-04 728 0.774E-02 0.118E-02
DAV: 17 -0.913126793311E+02 -0.90715E-03 -0.14057E-04 714 0.624E-02 0.165E-02
DAV: 18 -0.913128870087E+02 -0.20768E-03 -0.19342E-05 528 0.337E-02 0.880E-03
DAV: 19 -0.913130123713E+02 -0.12536E-03 -0.41910E-05 620 0.338E-02 0.680E-03
DAV: 20 -0.913130429991E+02 -0.30628E-04 -0.41932E-06 496 0.183E-02 0.274E-03
DAV: 21 -0.913130635912E+02 -0.20592E-04 -0.33825E-06 432 0.847E-03 0.121E-03
DAV: 22 -0.913130756580E+02 -0.12067E-04 -0.15355E-06 428 0.515E-03 0.655E-04
DAV: 23 -0.913130771887E+02 -0.15307E-05 -0.42419E-07 504 0.290E-03
1 F= -.91313077E+02 E0= -.91317974E+02 d E =0.146913E-01