iterations/neb0_image04_iter157_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 0.363948446412E+03 0.36395E+03 -0.14354E+04 640 0.799E+02
DAV: 2 0.942083397415E+00 -0.36301E+03 -0.35017E+03 874 0.193E+02
DAV: 3 -0.958182037440E+02 -0.96760E+02 -0.96437E+02 658 0.115E+02
DAV: 4 -0.100138770131E+03 -0.43206E+01 -0.43106E+01 720 0.281E+01
DAV: 5 -0.100220238525E+03 -0.81468E-01 -0.81439E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.915460217012E+02 0.86742E+01 -0.30843E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906980116797E+02 0.84801E+00 -0.17924E+00 712 0.628E+00 0.482E+00
DAV: 8 -0.902971928176E+02 0.40082E+00 -0.54434E-01 704 0.417E+00 0.166E+00
DAV: 9 -0.902000665987E+02 0.97126E-01 -0.13587E-01 720 0.164E+00 0.434E-01
DAV: 10 -0.901910540423E+02 0.90126E-02 -0.43276E-02 712 0.108E+00 0.326E-01
DAV: 11 -0.901953705738E+02 -0.43165E-02 -0.72123E-03 624 0.560E-01 0.116E-01
DAV: 12 -0.901984754509E+02 -0.31049E-02 -0.44953E-03 647 0.311E-01 0.137E-01
DAV: 13 -0.902018490357E+02 -0.33736E-02 -0.25235E-03 768 0.362E-01 0.727E-02
DAV: 14 -0.902054797956E+02 -0.36308E-02 -0.10756E-03 644 0.152E-01 0.607E-02
DAV: 15 -0.902076762979E+02 -0.21965E-02 -0.41343E-04 672 0.121E-01 0.240E-02
DAV: 16 -0.902095286330E+02 -0.18523E-02 -0.25523E-04 666 0.742E-02 0.222E-02
DAV: 17 -0.902103250489E+02 -0.79642E-03 -0.79417E-05 680 0.515E-02 0.176E-02
DAV: 18 -0.902106886616E+02 -0.36361E-03 -0.54263E-05 658 0.395E-02 0.831E-03
DAV: 19 -0.902108374247E+02 -0.14876E-03 -0.16981E-05 469 0.251E-02 0.299E-03
DAV: 20 -0.902109227167E+02 -0.85292E-04 -0.11236E-05 463 0.137E-02 0.315E-03
DAV: 21 -0.902109614965E+02 -0.38780E-04 -0.43275E-06 472 0.740E-03 0.207E-03
DAV: 22 -0.902109729415E+02 -0.11445E-04 -0.21876E-06 466 0.598E-03 0.563E-04
DAV: 23 -0.902109749677E+02 -0.20262E-05 -0.77198E-07 448 0.417E-03
1 F= -.90210975E+02 E0= -.90220086E+02 d E =0.273317E-01