iterations/neb0_image04_iter66_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 0.370638230127E+03 0.37064E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.417678285182E+01 -0.36646E+03 -0.35382E+03 861 0.195E+02
DAV: 3 -0.952321577298E+02 -0.99409E+02 -0.99085E+02 674 0.116E+02
DAV: 4 -0.997140418320E+02 -0.44819E+01 -0.44712E+01 704 0.281E+01
DAV: 5 -0.998021742165E+02 -0.88132E-01 -0.88086E-01 720 0.354E+00 0.221E+01
DAV: 6 -0.913240408743E+02 0.84781E+01 -0.29967E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.904774803842E+02 0.84656E+00 -0.17474E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.900787007818E+02 0.39878E+00 -0.55867E-01 712 0.428E+00 0.165E+00
DAV: 9 -0.899839962791E+02 0.94705E-01 -0.13550E-01 720 0.179E+00 0.441E-01
DAV: 10 -0.899739231371E+02 0.10073E-01 -0.56009E-02 712 0.136E+00 0.347E-01
DAV: 11 -0.899778903942E+02 -0.39673E-02 -0.14135E-02 623 0.674E-01 0.145E-01
DAV: 12 -0.899795843407E+02 -0.16939E-02 -0.39626E-03 672 0.289E-01 0.130E-01
DAV: 13 -0.899836260886E+02 -0.40417E-02 -0.27703E-03 837 0.402E-01 0.730E-02
DAV: 14 -0.899868769489E+02 -0.32509E-02 -0.11072E-03 661 0.162E-01 0.609E-02
DAV: 15 -0.899890870289E+02 -0.22101E-02 -0.39826E-04 797 0.127E-01 0.291E-02
DAV: 16 -0.899907257378E+02 -0.16387E-02 -0.35900E-04 672 0.976E-02 0.273E-02
DAV: 17 -0.899916709855E+02 -0.94525E-03 -0.91049E-05 599 0.484E-02 0.202E-02
DAV: 18 -0.899920464165E+02 -0.37543E-03 -0.12069E-04 661 0.597E-02 0.108E-02
DAV: 19 -0.899921267030E+02 -0.80286E-04 -0.89750E-06 496 0.252E-02 0.533E-03
DAV: 20 -0.899922010830E+02 -0.74380E-04 -0.20726E-05 492 0.231E-02 0.450E-03
DAV: 21 -0.899922266081E+02 -0.25525E-04 -0.28057E-06 469 0.121E-02 0.223E-03
DAV: 22 -0.899922361912E+02 -0.95831E-05 -0.40128E-06 448 0.112E-02
1 F= -.89992236E+02 E0= -.89997015E+02 d E =0.143379E-01