./iterations/neb0_image09_iter87_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 0.374565475931E+03 0.37457E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.251039414884E+01 -0.37206E+03 -0.35970E+03 877 0.196E+02
DAV: 3 -0.966867277697E+02 -0.99197E+02 -0.98858E+02 656 0.117E+02
DAV: 4 -0.101227679062E+03 -0.45410E+01 -0.45316E+01 696 0.289E+01
DAV: 5 -0.101317666616E+03 -0.89988E-01 -0.89949E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926679086739E+02 0.86498E+01 -0.30840E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918009458032E+02 0.86696E+00 -0.17143E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914239152012E+02 0.37703E+00 -0.54521E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913417124317E+02 0.82203E-01 -0.13081E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913328477147E+02 0.88647E-02 -0.45974E-02 768 0.112E+00 0.304E-01
DAV: 11 -0.913373473187E+02 -0.44996E-02 -0.13072E-02 610 0.596E-01 0.144E-01
DAV: 12 -0.913403284537E+02 -0.29811E-02 -0.30421E-03 623 0.244E-01 0.116E-01
DAV: 13 -0.913441273170E+02 -0.37989E-02 -0.16053E-03 725 0.221E-01 0.430E-02
DAV: 14 -0.913475076031E+02 -0.33803E-02 -0.57080E-04 664 0.126E-01 0.355E-02
DAV: 15 -0.913490866644E+02 -0.15791E-02 -0.15721E-04 720 0.751E-02 0.356E-02
DAV: 16 -0.913503197478E+02 -0.12331E-02 -0.35552E-04 650 0.931E-02 0.206E-02
DAV: 17 -0.913505853288E+02 -0.26558E-03 -0.65009E-05 720 0.580E-02 0.120E-02
DAV: 18 -0.913508415377E+02 -0.25621E-03 -0.41344E-05 556 0.268E-02 0.104E-02
DAV: 19 -0.913508921371E+02 -0.50599E-04 -0.77318E-06 496 0.176E-02 0.411E-03
DAV: 20 -0.913509290850E+02 -0.36948E-04 -0.11007E-05 410 0.198E-02 0.334E-03
DAV: 21 -0.913509403164E+02 -0.11231E-04 -0.22766E-06 472 0.777E-03 0.326E-03
DAV: 22 -0.913509470769E+02 -0.67605E-05 -0.14892E-06 401 0.855E-03
1 F= -.91350947E+02 E0= -.91355759E+02 d E =0.144345E-01