iterations/neb0_image07_iter54_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 0.373892809778E+03 0.37389E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.383215388159E+01 -0.37006E+03 -0.35720E+03 861 0.195E+02
DAV: 3 -0.962707490284E+02 -0.10010E+03 -0.99766E+02 672 0.117E+02
DAV: 4 -0.100717887403E+03 -0.44471E+01 -0.44370E+01 696 0.283E+01
DAV: 5 -0.100806731621E+03 -0.88844E-01 -0.88804E-01 720 0.358E+00 0.226E+01
DAV: 6 -0.922465226068E+02 0.85602E+01 -0.30615E+01 698 0.302E+01 0.118E+01
DAV: 7 -0.913893667742E+02 0.85716E+00 -0.16525E+00 736 0.615E+00 0.481E+00
DAV: 8 -0.910078279311E+02 0.38154E+00 -0.56651E-01 704 0.413E+00 0.162E+00
DAV: 9 -0.909230484934E+02 0.84779E-01 -0.13019E-01 720 0.156E+00 0.429E-01
DAV: 10 -0.909129494463E+02 0.10099E-01 -0.47984E-02 720 0.112E+00 0.311E-01
DAV: 11 -0.909171978989E+02 -0.42485E-02 -0.11223E-02 613 0.559E-01 0.132E-01
DAV: 12 -0.909205316749E+02 -0.33338E-02 -0.39490E-03 608 0.309E-01 0.144E-01
DAV: 13 -0.909238276123E+02 -0.32959E-02 -0.18357E-03 776 0.286E-01 0.583E-02
DAV: 14 -0.909265364508E+02 -0.27088E-02 -0.86997E-04 669 0.134E-01 0.535E-02
DAV: 15 -0.909293372422E+02 -0.28008E-02 -0.30835E-04 642 0.859E-02 0.383E-02
DAV: 16 -0.909305774745E+02 -0.12402E-02 -0.37496E-04 677 0.991E-02 0.230E-02
DAV: 17 -0.909312576090E+02 -0.68013E-03 -0.10822E-04 645 0.640E-02 0.118E-02
DAV: 18 -0.909314456549E+02 -0.18805E-03 -0.32279E-05 624 0.272E-02 0.869E-03
DAV: 19 -0.909315178988E+02 -0.72244E-04 -0.93533E-06 437 0.224E-02 0.319E-03
DAV: 20 -0.909315497303E+02 -0.31831E-04 -0.67529E-06 488 0.141E-02 0.335E-03
DAV: 21 -0.909315716147E+02 -0.21884E-04 -0.24447E-06 412 0.839E-03 0.188E-03
DAV: 22 -0.909315807435E+02 -0.91288E-05 -0.16304E-06 469 0.592E-03
1 F= -.90931581E+02 E0= -.90936985E+02 d E =0.162119E-01