iterations/neb0_image04_iter57_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 0.371063994872E+03 0.37106E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.445038424535E+01 -0.36661E+03 -0.35396E+03 861 0.195E+02
DAV: 3 -0.951596883032E+02 -0.99610E+02 -0.99283E+02 677 0.116E+02
DAV: 4 -0.996487504283E+02 -0.44891E+01 -0.44791E+01 704 0.281E+01
DAV: 5 -0.997366757951E+02 -0.87925E-01 -0.87877E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.912433883546E+02 0.84933E+01 -0.30075E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.904049025293E+02 0.83849E+00 -0.17747E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900112904297E+02 0.39361E+00 -0.55730E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.899163129165E+02 0.94978E-01 -0.13878E-01 712 0.176E+00 0.442E-01
DAV: 10 -0.899067426926E+02 0.95702E-02 -0.48599E-02 720 0.124E+00 0.329E-01
DAV: 11 -0.899105082952E+02 -0.37656E-02 -0.11485E-02 629 0.591E-01 0.134E-01
DAV: 12 -0.899125598683E+02 -0.20516E-02 -0.32678E-03 655 0.278E-01 0.115E-01
DAV: 13 -0.899168665492E+02 -0.43067E-02 -0.22507E-03 853 0.373E-01 0.640E-02
DAV: 14 -0.899198122772E+02 -0.29457E-02 -0.93321E-04 661 0.153E-01 0.499E-02
DAV: 15 -0.899220262170E+02 -0.22139E-02 -0.41650E-04 824 0.129E-01 0.238E-02
DAV: 16 -0.899236096225E+02 -0.15834E-02 -0.23433E-04 669 0.748E-02 0.263E-02
DAV: 17 -0.899242829322E+02 -0.67331E-03 -0.61951E-05 680 0.470E-02 0.154E-02
DAV: 18 -0.899247627768E+02 -0.47984E-03 -0.13440E-04 639 0.632E-02 0.140E-02
DAV: 19 -0.899247957795E+02 -0.33003E-04 -0.97957E-06 520 0.283E-02 0.756E-03
DAV: 20 -0.899248968090E+02 -0.10103E-03 -0.43668E-05 617 0.374E-02 0.801E-03
DAV: 21 -0.899249220150E+02 -0.25206E-04 -0.51710E-06 480 0.200E-02 0.364E-03
DAV: 22 -0.899249346200E+02 -0.12605E-04 -0.81389E-06 450 0.161E-02 0.254E-03
DAV: 23 -0.899249429293E+02 -0.83094E-05 -0.16114E-06 453 0.610E-03
1 F= -.89924943E+02 E0= -.89930719E+02 d E =0.173294E-01