./iterations/neb0_image02_iter151_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 0.363681065163E+03 0.36368E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.270554902983E+01 -0.36098E+03 -0.34794E+03 845 0.195E+02
DAV: 3 -0.955462412524E+02 -0.98252E+02 -0.97918E+02 656 0.116E+02
DAV: 4 -0.100189745325E+03 -0.46435E+01 -0.46320E+01 720 0.290E+01
DAV: 5 -0.100280948466E+03 -0.91203E-01 -0.91172E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916741810590E+02 0.86068E+01 -0.30935E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908605925525E+02 0.81359E+00 -0.18331E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904793634827E+02 0.38123E+00 -0.56146E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903928871377E+02 0.86476E-01 -0.13686E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903871335781E+02 0.57536E-02 -0.48858E-02 704 0.130E+00 0.328E-01
DAV: 11 -0.903904956517E+02 -0.33621E-02 -0.70928E-03 616 0.519E-01 0.144E-01
DAV: 12 -0.903937917918E+02 -0.32961E-02 -0.77500E-03 632 0.482E-01 0.135E-01
DAV: 13 -0.903964606600E+02 -0.26689E-02 -0.18476E-03 973 0.351E-01 0.834E-02
DAV: 14 -0.903994779245E+02 -0.30173E-02 -0.13112E-03 650 0.169E-01 0.632E-02
DAV: 15 -0.904015924361E+02 -0.21145E-02 -0.40274E-04 669 0.109E-01 0.487E-02
DAV: 16 -0.904030582786E+02 -0.14658E-02 -0.78084E-04 672 0.162E-01 0.331E-02
DAV: 17 -0.904038890040E+02 -0.83073E-03 -0.13885E-04 680 0.784E-02 0.239E-02
DAV: 18 -0.904041485308E+02 -0.25953E-03 -0.76860E-05 688 0.424E-02 0.927E-03
DAV: 19 -0.904043214623E+02 -0.17293E-03 -0.40642E-05 642 0.318E-02 0.726E-03
DAV: 20 -0.904043375001E+02 -0.16038E-04 -0.41014E-06 504 0.169E-02 0.516E-03
DAV: 21 -0.904043767271E+02 -0.39227E-04 -0.73336E-06 425 0.144E-02 0.502E-03
DAV: 22 -0.904043936952E+02 -0.16968E-04 -0.30534E-06 480 0.116E-02 0.269E-03
DAV: 23 -0.904043971961E+02 -0.35010E-05 -0.43634E-06 496 0.122E-02
1 F= -.90404397E+02 E0= -.90410846E+02 d E =0.193458E-01