iterations/neb0_image04_iter284_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 0.365298887494E+03 0.36530E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.141465119430E+00 -0.36516E+03 -0.35426E+03 866 0.195E+02
DAV: 3 -0.960407954665E+02 -0.96182E+02 -0.95889E+02 656 0.115E+02
DAV: 4 -0.100346702158E+03 -0.43059E+01 -0.42977E+01 712 0.279E+01
DAV: 5 -0.100431739374E+03 -0.85037E-01 -0.85011E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916754334911E+02 0.87563E+01 -0.31621E+01 669 0.301E+01 0.117E+01
DAV: 7 -0.908384868404E+02 0.83695E+00 -0.18324E+00 720 0.657E+00 0.485E+00
DAV: 8 -0.904272438003E+02 0.41124E+00 -0.53785E-01 696 0.446E+00 0.178E+00
DAV: 9 -0.903332024993E+02 0.94041E-01 -0.17139E-01 704 0.197E+00 0.527E-01
DAV: 10 -0.903222620031E+02 0.10940E-01 -0.35791E-02 728 0.106E+00 0.333E-01
DAV: 11 -0.903242010549E+02 -0.19391E-02 -0.79835E-03 696 0.476E-01 0.178E-01
DAV: 12 -0.903276113585E+02 -0.34103E-02 -0.38646E-03 621 0.359E-01 0.105E-01
DAV: 13 -0.903312448297E+02 -0.36335E-02 -0.10626E-03 623 0.202E-01 0.919E-02
DAV: 14 -0.903344638059E+02 -0.32190E-02 -0.13737E-03 767 0.262E-01 0.630E-02
DAV: 15 -0.903361189350E+02 -0.16551E-02 -0.29581E-04 672 0.124E-01 0.367E-02
DAV: 16 -0.903386179598E+02 -0.24990E-02 -0.81411E-04 646 0.167E-01 0.357E-02
DAV: 17 -0.903394435757E+02 -0.82562E-03 -0.22845E-04 872 0.110E-01 0.161E-02
DAV: 18 -0.903399804093E+02 -0.53683E-03 -0.11742E-04 644 0.558E-02 0.106E-02
DAV: 19 -0.903402945503E+02 -0.31414E-03 -0.33819E-05 590 0.249E-02 0.725E-03
DAV: 20 -0.903403818022E+02 -0.87252E-04 -0.10913E-05 480 0.195E-02 0.301E-03
DAV: 21 -0.903404402276E+02 -0.58425E-04 -0.12334E-05 446 0.153E-02 0.326E-03
DAV: 22 -0.903404454249E+02 -0.51973E-05 -0.12708E-06 512 0.547E-03
1 F= -.90340445E+02 E0= -.90348668E+02 d E =0.246671E-01