./iterations/neb0_image09_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 0.374531684918E+03 0.37453E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.255169887054E+01 -0.37198E+03 -0.35956E+03 877 0.196E+02
DAV: 3 -0.967234306614E+02 -0.99275E+02 -0.98942E+02 664 0.117E+02
DAV: 4 -0.101212937857E+03 -0.44895E+01 -0.44803E+01 696 0.285E+01
DAV: 5 -0.101302005112E+03 -0.89067E-01 -0.89028E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926571626913E+02 0.86448E+01 -0.30842E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917919321280E+02 0.86523E+00 -0.17098E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914154365759E+02 0.37650E+00 -0.54611E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913327771075E+02 0.82659E-01 -0.12973E-01 701 0.154E+00 0.424E-01
DAV: 10 -0.913237804032E+02 0.89967E-02 -0.44904E-02 768 0.110E+00 0.301E-01
DAV: 11 -0.913286335064E+02 -0.48531E-02 -0.14001E-02 602 0.614E-01 0.160E-01
DAV: 12 -0.913312834515E+02 -0.26499E-02 -0.27195E-03 642 0.243E-01 0.109E-01
DAV: 13 -0.913351225382E+02 -0.38391E-02 -0.19612E-03 661 0.228E-01 0.474E-02
DAV: 14 -0.913384220539E+02 -0.32995E-02 -0.65220E-04 661 0.165E-01 0.291E-02
DAV: 15 -0.913399029105E+02 -0.14809E-02 -0.17841E-04 680 0.747E-02 0.284E-02
DAV: 16 -0.913410433423E+02 -0.11404E-02 -0.20920E-04 682 0.851E-02 0.142E-02
DAV: 17 -0.913416146537E+02 -0.57131E-03 -0.52185E-05 661 0.398E-02 0.133E-02
DAV: 18 -0.913418373046E+02 -0.22265E-03 -0.46231E-05 664 0.382E-02 0.118E-02
DAV: 19 -0.913419572083E+02 -0.11990E-03 -0.21275E-05 456 0.265E-02 0.310E-03
DAV: 20 -0.913419858126E+02 -0.28604E-04 -0.60083E-06 496 0.117E-02 0.231E-03
DAV: 21 -0.913420126616E+02 -0.26849E-04 -0.37035E-06 398 0.970E-03 0.117E-03
DAV: 22 -0.913420190350E+02 -0.63734E-05 -0.13835E-06 480 0.513E-03
1 F= -.91342019E+02 E0= -.91347030E+02 d E =0.150341E-01