iterations/neb0_image04_iter215_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 0.365729393962E+03 0.36573E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.100699222006E+01 -0.36472E+03 -0.35302E+03 869 0.194E+02
DAV: 3 -0.959935352572E+02 -0.97001E+02 -0.96701E+02 656 0.116E+02
DAV: 4 -0.100315720724E+03 -0.43222E+01 -0.43137E+01 712 0.282E+01
DAV: 5 -0.100399731953E+03 -0.84011E-01 -0.83982E-01 736 0.353E+00 0.224E+01
DAV: 6 -0.916766729164E+02 0.87231E+01 -0.31139E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908075492331E+02 0.86912E+00 -0.17864E+00 704 0.644E+00 0.484E+00
DAV: 8 -0.903935575801E+02 0.41399E+00 -0.55421E-01 704 0.444E+00 0.173E+00
DAV: 9 -0.903018477625E+02 0.91710E-01 -0.14460E-01 717 0.199E+00 0.531E-01
DAV: 10 -0.902893275116E+02 0.12520E-01 -0.35560E-02 704 0.982E-01 0.344E-01
DAV: 11 -0.902910600753E+02 -0.17326E-02 -0.10063E-02 709 0.546E-01 0.223E-01
DAV: 12 -0.902936190765E+02 -0.25590E-02 -0.28887E-03 693 0.480E-01 0.132E-01
DAV: 13 -0.902969659575E+02 -0.33469E-02 -0.23111E-03 626 0.320E-01 0.984E-02
DAV: 14 -0.903015943460E+02 -0.46284E-02 -0.24108E-03 620 0.271E-01 0.558E-02
DAV: 15 -0.903030913113E+02 -0.14970E-02 -0.32987E-04 680 0.995E-02 0.478E-02
DAV: 16 -0.903055685267E+02 -0.24772E-02 -0.86174E-04 716 0.199E-01 0.372E-02
DAV: 17 -0.903064422318E+02 -0.87371E-03 -0.15270E-04 680 0.739E-02 0.361E-02
DAV: 18 -0.903070980393E+02 -0.65581E-03 -0.15750E-04 722 0.708E-02 0.204E-02
DAV: 19 -0.903073828636E+02 -0.28482E-03 -0.78919E-05 728 0.548E-02 0.915E-03
DAV: 20 -0.903075653641E+02 -0.18250E-03 -0.18918E-05 471 0.219E-02 0.774E-03
DAV: 21 -0.903076446348E+02 -0.79271E-04 -0.82653E-06 466 0.123E-02 0.511E-03
DAV: 22 -0.903076969978E+02 -0.52363E-04 -0.11854E-05 428 0.177E-02 0.165E-03
DAV: 23 -0.903077041679E+02 -0.71700E-05 -0.20442E-06 504 0.705E-03
1 F= -.90307704E+02 E0= -.90316066E+02 d E =0.250853E-01