./iterations/neb0_image02_iter43_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 0.368492536142E+03 0.36849E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.429589743680E+01 -0.36420E+03 -0.34936E+03 842 0.195E+02
DAV: 3 -0.955663239885E+02 -0.99862E+02 -0.99526E+02 672 0.116E+02
DAV: 4 -0.100150820211E+03 -0.45845E+01 -0.45742E+01 704 0.285E+01
DAV: 5 -0.100239861235E+03 -0.89041E-01 -0.89000E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.916280501356E+02 0.86118E+01 -0.30711E+01 688 0.298E+01 0.118E+01
DAV: 7 -0.907908034811E+02 0.83725E+00 -0.18221E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.904028369979E+02 0.38797E+00 -0.56197E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903131611288E+02 0.89676E-01 -0.14209E-01 696 0.167E+00 0.437E-01
DAV: 10 -0.903066171326E+02 0.65440E-02 -0.41490E-02 712 0.124E+00 0.310E-01
DAV: 11 -0.903101571214E+02 -0.35400E-02 -0.65343E-03 621 0.450E-01 0.159E-01
DAV: 12 -0.903133316770E+02 -0.31746E-02 -0.62075E-03 613 0.461E-01 0.118E-01
DAV: 13 -0.903165853924E+02 -0.32537E-02 -0.91457E-04 749 0.269E-01 0.787E-02
DAV: 14 -0.903196299973E+02 -0.30446E-02 -0.15963E-03 648 0.188E-01 0.546E-02
DAV: 15 -0.903221811635E+02 -0.25512E-02 -0.54900E-04 813 0.166E-01 0.329E-02
DAV: 16 -0.903232638269E+02 -0.10827E-02 -0.26300E-04 680 0.845E-02 0.277E-02
DAV: 17 -0.903242352907E+02 -0.97146E-03 -0.12546E-04 647 0.555E-02 0.191E-02
DAV: 18 -0.903244993945E+02 -0.26410E-03 -0.90551E-05 680 0.570E-02 0.960E-03
DAV: 19 -0.903246874826E+02 -0.18809E-03 -0.18195E-05 471 0.228E-02 0.738E-03
DAV: 20 -0.903247548300E+02 -0.67347E-04 -0.11795E-05 464 0.165E-02 0.400E-03
DAV: 21 -0.903247837303E+02 -0.28900E-04 -0.34602E-06 466 0.903E-03 0.284E-03
DAV: 22 -0.903247988700E+02 -0.15140E-04 -0.30000E-06 439 0.810E-03 0.150E-03
DAV: 23 -0.903248011404E+02 -0.22704E-05 -0.10320E-06 504 0.610E-03
1 F= -.90324801E+02 E0= -.90331688E+02 d E =0.206597E-01