./iterations/neb0_image02_iter97_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 0.367822599984E+03 0.36782E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.467160581265E+01 -0.36315E+03 -0.34844E+03 834 0.195E+02
DAV: 3 -0.954826416543E+02 -0.10015E+03 -0.99821E+02 672 0.116E+02
DAV: 4 -0.100165462293E+03 -0.46828E+01 -0.46720E+01 704 0.287E+01
DAV: 5 -0.100258316502E+03 -0.92854E-01 -0.92811E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916606125899E+02 0.85977E+01 -0.30875E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908398445253E+02 0.82077E+00 -0.18238E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904542844869E+02 0.38556E+00 -0.55765E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903646315268E+02 0.89653E-01 -0.13897E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903582462046E+02 0.63853E-02 -0.46904E-02 704 0.128E+00 0.321E-01
DAV: 11 -0.903619074513E+02 -0.36612E-02 -0.72165E-03 616 0.486E-01 0.148E-01
DAV: 12 -0.903652327344E+02 -0.33253E-02 -0.70203E-03 616 0.466E-01 0.128E-01
DAV: 13 -0.903680697796E+02 -0.28370E-02 -0.13874E-03 968 0.319E-01 0.800E-02
DAV: 14 -0.903711190758E+02 -0.30493E-02 -0.13435E-03 634 0.175E-01 0.555E-02
DAV: 15 -0.903734860499E+02 -0.23670E-02 -0.41523E-04 680 0.117E-01 0.415E-02
DAV: 16 -0.903747994285E+02 -0.13134E-02 -0.54745E-04 656 0.130E-01 0.302E-02
DAV: 17 -0.903757048222E+02 -0.90539E-03 -0.16923E-04 823 0.863E-02 0.178E-02
DAV: 18 -0.903758399754E+02 -0.13515E-03 -0.30967E-05 648 0.305E-02 0.108E-02
DAV: 19 -0.903760790061E+02 -0.23903E-03 -0.45387E-05 625 0.327E-02 0.455E-03
DAV: 20 -0.903761075252E+02 -0.28519E-04 -0.25979E-06 488 0.995E-03 0.447E-03
DAV: 21 -0.903761530871E+02 -0.45562E-04 -0.66996E-06 417 0.159E-02 0.350E-03
DAV: 22 -0.903761720076E+02 -0.18920E-04 -0.36474E-06 477 0.995E-03 0.255E-03
DAV: 23 -0.903761752240E+02 -0.32165E-05 -0.20149E-06 496 0.810E-03
1 F= -.90376175E+02 E0= -.90381772E+02 d E =0.167911E-01