iterations/neb0_image06_iter77_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 0.376367233292E+03 0.37637E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.371899855858E+01 -0.37265E+03 -0.36032E+03 877 0.195E+02
DAV: 3 -0.956623555773E+02 -0.99381E+02 -0.99068E+02 656 0.117E+02
DAV: 4 -0.100178207351E+03 -0.45159E+01 -0.45049E+01 704 0.289E+01
DAV: 5 -0.100270186125E+03 -0.91979E-01 -0.91943E-01 712 0.368E+00 0.227E+01
DAV: 6 -0.916130193703E+02 0.86572E+01 -0.30828E+01 677 0.306E+01 0.118E+01
DAV: 7 -0.907630435898E+02 0.84998E+00 -0.16995E+00 720 0.625E+00 0.482E+00
DAV: 8 -0.903781913633E+02 0.38485E+00 -0.52695E-01 704 0.401E+00 0.166E+00
DAV: 9 -0.902874189983E+02 0.90772E-01 -0.13116E-01 720 0.161E+00 0.425E-01
DAV: 10 -0.902776731552E+02 0.97458E-02 -0.41042E-02 728 0.104E+00 0.301E-01
DAV: 11 -0.902820413798E+02 -0.43682E-02 -0.11269E-02 618 0.662E-01 0.155E-01
DAV: 12 -0.902837502227E+02 -0.17088E-02 -0.25782E-03 648 0.285E-01 0.112E-01
DAV: 13 -0.902882839862E+02 -0.45338E-02 -0.26657E-03 640 0.316E-01 0.855E-02
DAV: 14 -0.902900714202E+02 -0.17874E-02 -0.41446E-04 712 0.144E-01 0.518E-02
DAV: 15 -0.902933624508E+02 -0.32910E-02 -0.98710E-04 626 0.179E-01 0.371E-02
DAV: 16 -0.902950063817E+02 -0.16439E-02 -0.20742E-04 704 0.910E-02 0.228E-02
DAV: 17 -0.902955469772E+02 -0.54060E-03 -0.11849E-04 744 0.670E-02 0.149E-02
DAV: 18 -0.902962323599E+02 -0.68538E-03 -0.13930E-04 660 0.755E-02 0.150E-02
DAV: 19 -0.902963160919E+02 -0.83732E-04 -0.16741E-05 496 0.315E-02 0.119E-02
DAV: 20 -0.902964037336E+02 -0.87642E-04 -0.41659E-05 623 0.389E-02 0.487E-03
DAV: 21 -0.902964500847E+02 -0.46351E-04 -0.58424E-06 493 0.166E-02 0.389E-03
DAV: 22 -0.902964785676E+02 -0.28483E-04 -0.29989E-06 406 0.758E-03 0.348E-03
DAV: 23 -0.902964884595E+02 -0.98918E-05 -0.24528E-06 458 0.101E-02
1 F= -.90296488E+02 E0= -.90304487E+02 d E =0.239960E-01