./iterations/neb0_image06_iter112_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 0.376320737004E+03 0.37632E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.395958736651E+01 -0.37236E+03 -0.36036E+03 877 0.195E+02
DAV: 3 -0.955741699488E+02 -0.99534E+02 -0.99204E+02 645 0.117E+02
DAV: 4 -0.100300763939E+03 -0.47266E+01 -0.47155E+01 704 0.295E+01
DAV: 5 -0.100397680072E+03 -0.96916E-01 -0.96868E-01 728 0.376E+00 0.227E+01
DAV: 6 -0.917808271827E+02 0.86169E+01 -0.30728E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909475281687E+02 0.83330E+00 -0.17300E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.905692520882E+02 0.37828E+00 -0.50636E-01 720 0.397E+00 0.167E+00
DAV: 9 -0.904786025618E+02 0.90650E-01 -0.13497E-01 720 0.172E+00 0.421E-01
DAV: 10 -0.904696499563E+02 0.89526E-02 -0.32742E-02 800 0.951E-01 0.287E-01
DAV: 11 -0.904737583462E+02 -0.41084E-02 -0.14145E-02 605 0.785E-01 0.186E-01
DAV: 12 -0.904746253563E+02 -0.86701E-03 -0.30796E-03 728 0.403E-01 0.116E-01
DAV: 13 -0.904793117199E+02 -0.46864E-02 -0.44987E-03 608 0.374E-01 0.127E-01
DAV: 14 -0.904812258681E+02 -0.19141E-02 -0.11522E-03 696 0.175E-01 0.723E-02
DAV: 15 -0.904843162972E+02 -0.30904E-02 -0.16693E-03 642 0.277E-01 0.485E-02
DAV: 16 -0.904857872297E+02 -0.14709E-02 -0.28749E-04 696 0.110E-01 0.374E-02
DAV: 17 -0.904867568316E+02 -0.96960E-03 -0.17640E-04 669 0.745E-02 0.196E-02
DAV: 18 -0.904873953135E+02 -0.63848E-03 -0.91503E-05 765 0.588E-02 0.105E-02
DAV: 19 -0.904877639948E+02 -0.36868E-03 -0.31547E-05 581 0.315E-02 0.793E-03
DAV: 20 -0.904878832911E+02 -0.11930E-03 -0.13233E-05 480 0.225E-02 0.381E-03
DAV: 21 -0.904879411085E+02 -0.57817E-04 -0.10559E-05 434 0.163E-02 0.489E-03
DAV: 22 -0.904879592125E+02 -0.18104E-04 -0.27348E-06 488 0.131E-02 0.270E-03
DAV: 23 -0.904879738422E+02 -0.14630E-04 -0.67155E-06 408 0.159E-02 0.359E-03
DAV: 24 -0.904879762977E+02 -0.24554E-05 -0.17878E-06 509 0.116E-02
1 F= -.90487976E+02 E0= -.90497187E+02 d E =0.276327E-01