iterations/neb0_image02_iter102_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 0.367787957753E+03 0.36779E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.465374099968E+01 -0.36313E+03 -0.34842E+03 834 0.195E+02
DAV: 3 -0.954834072472E+02 -0.10014E+03 -0.99805E+02 672 0.116E+02
DAV: 4 -0.100167719321E+03 -0.46843E+01 -0.46733E+01 712 0.287E+01
DAV: 5 -0.100260393627E+03 -0.92674E-01 -0.92632E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916634904221E+02 0.85969E+01 -0.30861E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908425208251E+02 0.82097E+00 -0.18208E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904573059543E+02 0.38521E+00 -0.55810E-01 688 0.427E+00 0.169E+00
DAV: 9 -0.903682965868E+02 0.89009E-01 -0.13852E-01 704 0.166E+00 0.434E-01
DAV: 10 -0.903620453355E+02 0.62513E-02 -0.47547E-02 704 0.129E+00 0.323E-01
DAV: 11 -0.903656347432E+02 -0.35894E-02 -0.71686E-03 616 0.490E-01 0.149E-01
DAV: 12 -0.903689929132E+02 -0.33582E-02 -0.73347E-03 624 0.472E-01 0.131E-01
DAV: 13 -0.903718219457E+02 -0.28290E-02 -0.15411E-03 976 0.333E-01 0.809E-02
DAV: 14 -0.903748337208E+02 -0.30118E-02 -0.13290E-03 634 0.173E-01 0.575E-02
DAV: 15 -0.903771538930E+02 -0.23202E-02 -0.41522E-04 672 0.115E-01 0.427E-02
DAV: 16 -0.903785080742E+02 -0.13542E-02 -0.60884E-04 656 0.139E-01 0.316E-02
DAV: 17 -0.903793952063E+02 -0.88713E-03 -0.14910E-04 717 0.811E-02 0.200E-02
DAV: 18 -0.903795690152E+02 -0.17381E-03 -0.47219E-05 704 0.354E-02 0.971E-03
DAV: 19 -0.903797763772E+02 -0.20736E-03 -0.30350E-05 532 0.266E-02 0.309E-03
DAV: 20 -0.903798271979E+02 -0.50821E-04 -0.43062E-06 480 0.108E-02 0.397E-03
DAV: 21 -0.903798756416E+02 -0.48444E-04 -0.71320E-06 420 0.153E-02 0.408E-03
DAV: 22 -0.903798882622E+02 -0.12621E-04 -0.32507E-06 477 0.106E-02 0.290E-03
DAV: 23 -0.903798898510E+02 -0.15888E-05 -0.27786E-06 544 0.985E-03
1 F= -.90379890E+02 E0= -.90385796E+02 d E =0.177188E-01