iterations/neb0_image04_iter187_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 0.363466925631E+03 0.36347E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.122207424747E+01 -0.36224E+03 -0.34935E+03 858 0.193E+02
DAV: 3 -0.962643222910E+02 -0.97486E+02 -0.97194E+02 693 0.115E+02
DAV: 4 -0.100281607790E+03 -0.40173E+01 -0.40078E+01 696 0.265E+01
DAV: 5 -0.100356501666E+03 -0.74894E-01 -0.74865E-01 728 0.328E+00 0.224E+01
DAV: 6 -0.916407978050E+02 0.87157E+01 -0.31136E+01 682 0.298E+01 0.117E+01
DAV: 7 -0.907766161308E+02 0.86418E+00 -0.17900E+00 696 0.630E+00 0.483E+00
DAV: 8 -0.903666987586E+02 0.40992E+00 -0.56464E-01 712 0.424E+00 0.164E+00
DAV: 9 -0.902715188110E+02 0.95180E-01 -0.12742E-01 712 0.181E+00 0.460E-01
DAV: 10 -0.902627220893E+02 0.87967E-02 -0.31118E-02 717 0.900E-01 0.318E-01
DAV: 11 -0.902647528785E+02 -0.20308E-02 -0.84042E-03 680 0.494E-01 0.174E-01
DAV: 12 -0.902678793716E+02 -0.31265E-02 -0.23531E-03 648 0.386E-01 0.109E-01
DAV: 13 -0.902719664354E+02 -0.40871E-02 -0.20318E-03 612 0.256E-01 0.971E-02
DAV: 14 -0.902763138825E+02 -0.43474E-02 -0.19356E-03 639 0.239E-01 0.473E-02
DAV: 15 -0.902777862346E+02 -0.14724E-02 -0.24758E-04 688 0.896E-02 0.353E-02
DAV: 16 -0.902802742180E+02 -0.24880E-02 -0.59293E-04 697 0.148E-01 0.291E-02
DAV: 17 -0.902808870771E+02 -0.61286E-03 -0.81412E-05 680 0.577E-02 0.244E-02
DAV: 18 -0.902814157897E+02 -0.52871E-03 -0.13715E-04 719 0.685E-02 0.839E-03
DAV: 19 -0.902817030996E+02 -0.28731E-03 -0.36097E-05 669 0.285E-02 0.752E-03
DAV: 20 -0.902818185923E+02 -0.11549E-03 -0.91007E-06 453 0.114E-02 0.505E-03
DAV: 21 -0.902818785288E+02 -0.59936E-04 -0.12693E-05 479 0.188E-02 0.159E-03
DAV: 22 -0.902818921292E+02 -0.13600E-04 -0.30619E-06 472 0.808E-03 0.246E-03
DAV: 23 -0.902818947509E+02 -0.26217E-05 -0.61334E-07 496 0.474E-03
1 F= -.90281895E+02 E0= -.90290487E+02 d E =0.257769E-01