./iterations/neb0_image07_iter172_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 0.371088110931E+03 0.37109E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.320016763749E+01 -0.36789E+03 -0.35525E+03 869 0.194E+02
DAV: 3 -0.963685943571E+02 -0.99569E+02 -0.99251E+02 672 0.116E+02
DAV: 4 -0.101030177315E+03 -0.46616E+01 -0.46492E+01 696 0.287E+01
DAV: 5 -0.101126234312E+03 -0.96057E-01 -0.95986E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.925534616318E+02 0.85728E+01 -0.30498E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917037635561E+02 0.84970E+00 -0.17238E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913339267855E+02 0.36984E+00 -0.52488E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912528773708E+02 0.81049E-01 -0.13117E-01 720 0.158E+00 0.420E-01
DAV: 10 -0.912445664610E+02 0.83109E-02 -0.41849E-02 759 0.108E+00 0.294E-01
DAV: 11 -0.912487139070E+02 -0.41474E-02 -0.11476E-02 608 0.567E-01 0.134E-01
DAV: 12 -0.912516328232E+02 -0.29189E-02 -0.25534E-03 622 0.257E-01 0.933E-02
DAV: 13 -0.912554458327E+02 -0.38130E-02 -0.12528E-03 623 0.183E-01 0.512E-02
DAV: 14 -0.912581691832E+02 -0.27234E-02 -0.48829E-04 808 0.157E-01 0.306E-02
DAV: 15 -0.912599946764E+02 -0.18255E-02 -0.25446E-04 674 0.895E-02 0.312E-02
DAV: 16 -0.912612269005E+02 -0.12322E-02 -0.15365E-04 669 0.613E-02 0.118E-02
DAV: 17 -0.912618490435E+02 -0.62214E-03 -0.71131E-05 685 0.408E-02 0.113E-02
DAV: 18 -0.912621503744E+02 -0.30133E-03 -0.40583E-05 592 0.348E-02 0.578E-03
DAV: 19 -0.912622172113E+02 -0.66837E-04 -0.63252E-06 472 0.172E-02 0.347E-03
DAV: 20 -0.912622352203E+02 -0.18009E-04 -0.64525E-06 488 0.155E-02 0.282E-03
DAV: 21 -0.912622491127E+02 -0.13892E-04 -0.15948E-06 431 0.982E-03 0.132E-03
DAV: 22 -0.912622610843E+02 -0.11972E-04 -0.28286E-06 403 0.851E-03 0.167E-03
DAV: 23 -0.912622619814E+02 -0.89709E-06 -0.37411E-07 504 0.517E-03
1 F= -.91262262E+02 E0= -.91268061E+02 d E =0.173973E-01