iterations/neb0_image02_iter33_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 0.367929661250E+03 0.36793E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.475999134043E+01 -0.36317E+03 -0.34841E+03 834 0.195E+02
DAV: 3 -0.954842070034E+02 -0.10024E+03 -0.99901E+02 688 0.117E+02
DAV: 4 -0.100071816615E+03 -0.45876E+01 -0.45761E+01 712 0.279E+01
DAV: 5 -0.100162620326E+03 -0.90804E-01 -0.90762E-01 736 0.349E+00 0.223E+01
DAV: 6 -0.915640714030E+02 0.85985E+01 -0.30630E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.907215748842E+02 0.84250E+00 -0.18100E+00 712 0.640E+00 0.483E+00
DAV: 8 -0.903317338452E+02 0.38984E+00 -0.57880E-01 688 0.435E+00 0.168E+00
DAV: 9 -0.902426548005E+02 0.89079E-01 -0.14134E-01 696 0.166E+00 0.439E-01
DAV: 10 -0.902358168607E+02 0.68379E-02 -0.38761E-02 728 0.121E+00 0.304E-01
DAV: 11 -0.902394836387E+02 -0.36668E-02 -0.67617E-03 616 0.449E-01 0.160E-01
DAV: 12 -0.902425951479E+02 -0.31115E-02 -0.57943E-03 616 0.464E-01 0.114E-01
DAV: 13 -0.902458237993E+02 -0.32287E-02 -0.84407E-04 653 0.253E-01 0.794E-02
DAV: 14 -0.902489853819E+02 -0.31616E-02 -0.19301E-03 640 0.222E-01 0.591E-02
DAV: 15 -0.902512903915E+02 -0.23050E-02 -0.61744E-04 949 0.195E-01 0.291E-02
DAV: 16 -0.902525570181E+02 -0.12666E-02 -0.23998E-04 664 0.757E-02 0.288E-02
DAV: 17 -0.902535054302E+02 -0.94841E-03 -0.12956E-04 653 0.575E-02 0.186E-02
DAV: 18 -0.902538174662E+02 -0.31204E-03 -0.14979E-04 672 0.758E-02 0.146E-02
DAV: 19 -0.902539785101E+02 -0.16104E-03 -0.23632E-05 575 0.278E-02 0.131E-02
DAV: 20 -0.902540159739E+02 -0.37464E-04 -0.80232E-06 496 0.159E-02 0.795E-03
DAV: 21 -0.902540567252E+02 -0.40751E-04 -0.12032E-05 414 0.217E-02 0.169E-03
DAV: 22 -0.902540695084E+02 -0.12783E-04 -0.77332E-06 485 0.160E-02 0.396E-03
DAV: 23 -0.902540722802E+02 -0.27718E-05 -0.18373E-06 472 0.682E-03
1 F= -.90254072E+02 E0= -.90260307E+02 d E =0.187032E-01