./iterations/neb0_image06_iter283_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 0.374610452508E+03 0.37461E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.599185509842E+01 -0.36862E+03 -0.35613E+03 853 0.194E+02
DAV: 3 -0.944137455132E+02 -0.10041E+03 -0.99989E+02 672 0.117E+02
DAV: 4 -0.990757510300E+02 -0.46620E+01 -0.46433E+01 712 0.287E+01
DAV: 5 -0.991704941907E+02 -0.94743E-01 -0.94688E-01 720 0.366E+00 0.222E+01
DAV: 6 -0.907824535540E+02 0.83880E+01 -0.29710E+01 685 0.302E+01 0.116E+01
DAV: 7 -0.899531729563E+02 0.82928E+00 -0.16472E+00 712 0.632E+00 0.481E+00
DAV: 8 -0.895656214468E+02 0.38755E+00 -0.59015E-01 704 0.423E+00 0.157E+00
DAV: 9 -0.894798478238E+02 0.85774E-01 -0.12154E-01 712 0.159E+00 0.436E-01
DAV: 10 -0.894697706720E+02 0.10077E-01 -0.42068E-02 720 0.101E+00 0.308E-01
DAV: 11 -0.894738647116E+02 -0.40940E-02 -0.12161E-02 608 0.619E-01 0.172E-01
DAV: 12 -0.894750820744E+02 -0.12174E-02 -0.28913E-03 664 0.324E-01 0.970E-02
DAV: 13 -0.894798406284E+02 -0.47586E-02 -0.29176E-03 609 0.284E-01 0.799E-02
DAV: 14 -0.894817677856E+02 -0.19272E-02 -0.57486E-04 824 0.198E-01 0.386E-02
DAV: 15 -0.894849356618E+02 -0.31679E-02 -0.70078E-04 633 0.133E-01 0.327E-02
DAV: 16 -0.894865027147E+02 -0.15671E-02 -0.14452E-04 685 0.658E-02 0.168E-02
DAV: 17 -0.894877183174E+02 -0.12156E-02 -0.24460E-04 682 0.808E-02 0.183E-02
DAV: 18 -0.894880096874E+02 -0.29137E-03 -0.45691E-05 672 0.466E-02 0.105E-02
DAV: 19 -0.894881054347E+02 -0.95747E-04 -0.19497E-05 488 0.253E-02 0.570E-03
DAV: 20 -0.894881762913E+02 -0.70857E-04 -0.13556E-05 440 0.225E-02 0.383E-03
DAV: 21 -0.894882188892E+02 -0.42598E-04 -0.63221E-06 442 0.161E-02 0.268E-03
DAV: 22 -0.894882306963E+02 -0.11807E-04 -0.31760E-06 472 0.952E-03 0.239E-03
DAV: 23 -0.894882362607E+02 -0.55643E-05 -0.12939E-06 425 0.797E-03
1 F= -.89488236E+02 E0= -.89493836E+02 d E =0.167980E-01