./iterations/neb0_image03_iter15_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 0.360988983929E+03 0.36099E+03 -0.14281E+04 632 0.799E+02
DAV: 2 0.409161650426E+01 -0.35690E+03 -0.34406E+03 845 0.193E+02
DAV: 3 -0.946015207094E+02 -0.98693E+02 -0.98318E+02 696 0.115E+02
DAV: 4 -0.990687630098E+02 -0.44672E+01 -0.44559E+01 712 0.273E+01
DAV: 5 -0.991627363770E+02 -0.93973E-01 -0.93925E-01 728 0.346E+00 0.216E+01
DAV: 6 -0.906115801439E+02 0.85512E+01 -0.31273E+01 701 0.300E+01 0.112E+01
DAV: 7 -0.898525383628E+02 0.75904E+00 -0.17218E+00 736 0.640E+00 0.477E+00
DAV: 8 -0.894696092313E+02 0.38293E+00 -0.58309E-01 704 0.438E+00 0.171E+00
DAV: 9 -0.893762799547E+02 0.93329E-01 -0.13813E-01 728 0.175E+00 0.439E-01
DAV: 10 -0.893684480390E+02 0.78319E-02 -0.38617E-02 736 0.101E+00 0.317E-01
DAV: 11 -0.893733452925E+02 -0.48973E-02 -0.14310E-02 608 0.734E-01 0.175E-01
DAV: 12 -0.893741187146E+02 -0.77342E-03 -0.31517E-03 672 0.333E-01 0.133E-01
DAV: 13 -0.893786594328E+02 -0.45407E-02 -0.69353E-03 681 0.583E-01 0.124E-01
DAV: 14 -0.893801918603E+02 -0.15324E-02 -0.12215E-03 768 0.243E-01 0.769E-02
DAV: 15 -0.893824441190E+02 -0.22523E-02 -0.13578E-03 666 0.208E-01 0.296E-02
DAV: 16 -0.893841683733E+02 -0.17243E-02 -0.23046E-04 682 0.816E-02 0.310E-02
DAV: 17 -0.893850008001E+02 -0.83243E-03 -0.83676E-05 701 0.545E-02 0.179E-02
DAV: 18 -0.893855724229E+02 -0.57162E-03 -0.23703E-04 719 0.967E-02 0.239E-02
DAV: 19 -0.893857033292E+02 -0.13091E-03 -0.45326E-05 688 0.499E-02 0.119E-02
DAV: 20 -0.893857674727E+02 -0.64144E-04 -0.28742E-05 605 0.296E-02 0.354E-03
DAV: 21 -0.893858471537E+02 -0.79681E-04 -0.74321E-06 417 0.143E-02 0.256E-03
DAV: 22 -0.893858775266E+02 -0.30373E-04 -0.64394E-06 480 0.115E-02 0.376E-03
DAV: 23 -0.893858863668E+02 -0.88402E-05 -0.18078E-06 482 0.108E-02
1 F= -.89385886E+02 E0= -.89393478E+02 d E =0.227750E-01