./iterations/neb0_image02_iter78_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 0.368024766193E+03 0.36802E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.466432573945E+01 -0.36336E+03 -0.34862E+03 834 0.195E+02
DAV: 3 -0.956781410519E+02 -0.10034E+03 -0.10001E+03 688 0.116E+02
DAV: 4 -0.100161815779E+03 -0.44837E+01 -0.44733E+01 704 0.279E+01
DAV: 5 -0.100248625697E+03 -0.86810E-01 -0.86770E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.916556263704E+02 0.85930E+01 -0.30914E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908280650394E+02 0.82756E+00 -0.18174E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904396273629E+02 0.38844E+00 -0.56584E-01 696 0.430E+00 0.168E+00
DAV: 9 -0.903501779957E+02 0.89449E-01 -0.13917E-01 704 0.165E+00 0.435E-01
DAV: 10 -0.903437494743E+02 0.64285E-02 -0.46969E-02 712 0.128E+00 0.322E-01
DAV: 11 -0.903473307436E+02 -0.35813E-02 -0.70836E-03 608 0.478E-01 0.153E-01
DAV: 12 -0.903506878976E+02 -0.33572E-02 -0.72135E-03 618 0.478E-01 0.129E-01
DAV: 13 -0.903535919054E+02 -0.29040E-02 -0.13847E-03 968 0.318E-01 0.810E-02
DAV: 14 -0.903566044559E+02 -0.30126E-02 -0.13506E-03 637 0.172E-01 0.540E-02
DAV: 15 -0.903590712778E+02 -0.24668E-02 -0.41766E-04 669 0.115E-01 0.408E-02
DAV: 16 -0.903604385713E+02 -0.13673E-02 -0.53109E-04 656 0.126E-01 0.297E-02
DAV: 17 -0.903613208000E+02 -0.88223E-03 -0.16927E-04 826 0.862E-02 0.167E-02
DAV: 18 -0.903614699994E+02 -0.14920E-03 -0.33165E-05 680 0.302E-02 0.101E-02
DAV: 19 -0.903616691347E+02 -0.19914E-03 -0.36133E-05 553 0.290E-02 0.421E-03
DAV: 20 -0.903616996420E+02 -0.30507E-04 -0.24736E-06 488 0.905E-03 0.423E-03
DAV: 21 -0.903617457142E+02 -0.46072E-04 -0.61051E-06 406 0.136E-02 0.241E-03
DAV: 22 -0.903617560368E+02 -0.10323E-04 -0.30475E-06 477 0.821E-03 0.207E-03
DAV: 23 -0.903617588263E+02 -0.27895E-05 -0.79757E-07 464 0.585E-03
1 F= -.90361759E+02 E0= -.90367667E+02 d E =0.177235E-01