./iterations/neb0_image02_iter193_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 0.367027295983E+03 0.36703E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.259340270813E+01 -0.36443E+03 -0.35251E+03 853 0.196E+02
DAV: 3 -0.956597261629E+02 -0.98253E+02 -0.97922E+02 656 0.116E+02
DAV: 4 -0.100249572665E+03 -0.45898E+01 -0.45789E+01 720 0.289E+01
DAV: 5 -0.100339430815E+03 -0.89858E-01 -0.89821E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.916802471161E+02 0.86592E+01 -0.30954E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908593760702E+02 0.82087E+00 -0.18422E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904780158831E+02 0.38136E+00 -0.55445E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903915725343E+02 0.86443E-01 -0.13680E-01 720 0.168E+00 0.430E-01
DAV: 10 -0.903862064608E+02 0.53661E-02 -0.49735E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903897591131E+02 -0.35527E-02 -0.77556E-03 616 0.587E-01 0.125E-01
DAV: 12 -0.903928168137E+02 -0.30577E-02 -0.70800E-03 648 0.431E-01 0.135E-01
DAV: 13 -0.903954112352E+02 -0.25944E-02 -0.18987E-03 853 0.343E-01 0.824E-02
DAV: 14 -0.903986053901E+02 -0.31942E-02 -0.13994E-03 623 0.174E-01 0.698E-02
DAV: 15 -0.904005119515E+02 -0.19066E-02 -0.33489E-04 696 0.108E-01 0.516E-02
DAV: 16 -0.904020139328E+02 -0.15020E-02 -0.10176E-03 680 0.186E-01 0.403E-02
DAV: 17 -0.904027024743E+02 -0.68854E-03 -0.16258E-04 800 0.890E-02 0.243E-02
DAV: 18 -0.904030043946E+02 -0.30192E-03 -0.74485E-05 672 0.414E-02 0.907E-03
DAV: 19 -0.904031876003E+02 -0.18321E-03 -0.35685E-05 594 0.298E-02 0.593E-03
DAV: 20 -0.904032197865E+02 -0.32186E-04 -0.37088E-06 504 0.134E-02 0.535E-03
DAV: 21 -0.904032777668E+02 -0.57980E-04 -0.11586E-05 409 0.174E-02 0.352E-03
DAV: 22 -0.904032832187E+02 -0.54519E-05 -0.39296E-06 496 0.122E-02
1 F= -.90403283E+02 E0= -.90410115E+02 d E =0.204955E-01