iterations/neb0_image04_iter267_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 0.366883862668E+03 0.36688E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.575245170094E+00 -0.36631E+03 -0.35517E+03 858 0.195E+02
DAV: 3 -0.960388227097E+02 -0.96614E+02 -0.96320E+02 656 0.116E+02
DAV: 4 -0.100365275810E+03 -0.43265E+01 -0.43166E+01 704 0.280E+01
DAV: 5 -0.100450170082E+03 -0.84894E-01 -0.84867E-01 736 0.350E+00 0.224E+01
DAV: 6 -0.917001313948E+02 0.87500E+01 -0.31336E+01 682 0.299E+01 0.118E+01
DAV: 7 -0.908380983075E+02 0.86203E+00 -0.18260E+00 720 0.658E+00 0.486E+00
DAV: 8 -0.904295062938E+02 0.40859E+00 -0.54586E-01 704 0.464E+00 0.182E+00
DAV: 9 -0.903383612833E+02 0.91145E-01 -0.15287E-01 736 0.226E+00 0.610E-01
DAV: 10 -0.903216422875E+02 0.16719E-01 -0.41860E-02 712 0.107E+00 0.359E-01
DAV: 11 -0.903231728210E+02 -0.15305E-02 -0.15262E-02 728 0.631E-01 0.247E-01
DAV: 12 -0.903259198186E+02 -0.27470E-02 -0.31145E-03 672 0.456E-01 0.131E-01
DAV: 13 -0.903293779179E+02 -0.34581E-02 -0.29754E-03 628 0.361E-01 0.121E-01
DAV: 14 -0.903322354040E+02 -0.28575E-02 -0.14919E-03 696 0.280E-01 0.551E-02
DAV: 15 -0.903353784906E+02 -0.31431E-02 -0.10104E-03 634 0.157E-01 0.516E-02
DAV: 16 -0.903371207047E+02 -0.17422E-02 -0.40083E-04 808 0.151E-01 0.262E-02
DAV: 17 -0.903386864955E+02 -0.15658E-02 -0.36001E-04 649 0.940E-02 0.371E-02
DAV: 18 -0.903391306095E+02 -0.44411E-03 -0.63515E-05 744 0.668E-02 0.193E-02
DAV: 19 -0.903394771418E+02 -0.34653E-03 -0.20117E-04 638 0.830E-02 0.178E-02
DAV: 20 -0.903395706500E+02 -0.93508E-04 -0.12621E-05 504 0.290E-02 0.134E-02
DAV: 21 -0.903396345424E+02 -0.63892E-04 -0.37577E-05 615 0.342E-02 0.364E-03
DAV: 22 -0.903396648133E+02 -0.30271E-04 -0.34459E-06 469 0.116E-02 0.229E-03
DAV: 23 -0.903396689479E+02 -0.41345E-05 -0.12489E-06 536 0.668E-03
1 F= -.90339669E+02 E0= -.90347832E+02 d E =0.244905E-01