iterations/neb0_image03_iter10_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 0.363400274200E+03 0.36340E+03 -0.14242E+04 624 0.799E+02
DAV: 2 0.502783014244E+01 -0.35837E+03 -0.34554E+03 837 0.194E+02
DAV: 3 -0.938978807429E+02 -0.98926E+02 -0.98537E+02 664 0.116E+02
DAV: 4 -0.986519065542E+02 -0.47540E+01 -0.47400E+01 728 0.291E+01
DAV: 5 -0.987535501878E+02 -0.10164E+00 -0.10159E+00 728 0.374E+00 0.217E+01
DAV: 6 -0.901859824116E+02 0.85676E+01 -0.31087E+01 704 0.298E+01 0.112E+01
DAV: 7 -0.894060022461E+02 0.77998E+00 -0.17355E+00 736 0.654E+00 0.478E+00
DAV: 8 -0.890283363006E+02 0.37767E+00 -0.61099E-01 704 0.454E+00 0.171E+00
DAV: 9 -0.889463744597E+02 0.81962E-01 -0.13330E-01 720 0.194E+00 0.572E-01
DAV: 10 -0.889343449623E+02 0.12029E-01 -0.20652E-02 760 0.834E-01 0.372E-01
DAV: 11 -0.889375101867E+02 -0.31652E-02 -0.21357E-02 728 0.111E+00 0.420E-01
DAV: 12 -0.889355059342E+02 0.20043E-02 -0.48700E-03 720 0.632E-01 0.159E-01
DAV: 13 -0.889393753554E+02 -0.38694E-02 -0.40374E-03 631 0.359E-01 0.166E-01
DAV: 14 -0.889414982251E+02 -0.21229E-02 -0.12886E-03 780 0.284E-01 0.908E-02
DAV: 15 -0.889446696459E+02 -0.31714E-02 -0.73744E-04 773 0.228E-01 0.428E-02
DAV: 16 -0.889467460825E+02 -0.20764E-02 -0.65727E-04 696 0.122E-01 0.435E-02
DAV: 17 -0.889483130845E+02 -0.15670E-02 -0.32839E-04 717 0.119E-01 0.202E-02
DAV: 18 -0.889488505873E+02 -0.53750E-03 -0.82468E-05 680 0.574E-02 0.212E-02
DAV: 19 -0.889491146745E+02 -0.26409E-03 -0.58381E-05 720 0.544E-02 0.116E-02
DAV: 20 -0.889492500363E+02 -0.13536E-03 -0.23220E-05 557 0.288E-02 0.752E-03
DAV: 21 -0.889494126742E+02 -0.16264E-03 -0.16639E-05 500 0.178E-02 0.413E-03
DAV: 22 -0.889494509731E+02 -0.38299E-04 -0.41253E-06 504 0.107E-02 0.196E-03
DAV: 23 -0.889494770324E+02 -0.26059E-04 -0.47811E-06 431 0.109E-02 0.221E-03
DAV: 24 -0.889494802917E+02 -0.32592E-05 -0.95793E-07 520 0.518E-03
1 F= -.88949480E+02 E0= -.88959249E+02 d E =0.293053E-01