./iterations/neb0_image08_iter62_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 0.376472708389E+03 0.37647E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.384010505189E+01 -0.37263E+03 -0.35895E+03 869 0.196E+02
DAV: 3 -0.967855618120E+02 -0.10063E+03 -0.10030E+03 688 0.117E+02
DAV: 4 -0.101128229697E+03 -0.43427E+01 -0.43328E+01 696 0.276E+01
DAV: 5 -0.101213066376E+03 -0.84837E-01 -0.84800E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925731622806E+02 0.86399E+01 -0.30826E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916981279636E+02 0.87503E+00 -0.16856E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913170610310E+02 0.38107E+00 -0.55879E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912329334138E+02 0.84128E-01 -0.12951E-01 712 0.154E+00 0.427E-01
DAV: 10 -0.912233066825E+02 0.96267E-02 -0.48267E-02 720 0.113E+00 0.312E-01
DAV: 11 -0.912283065912E+02 -0.49999E-02 -0.15395E-02 616 0.639E-01 0.170E-01
DAV: 12 -0.912311095756E+02 -0.28030E-02 -0.32978E-03 622 0.249E-01 0.136E-01
DAV: 13 -0.912351063905E+02 -0.39968E-02 -0.27014E-03 693 0.297E-01 0.524E-02
DAV: 14 -0.912380464530E+02 -0.29401E-02 -0.48827E-04 656 0.115E-01 0.400E-02
DAV: 15 -0.912402640108E+02 -0.22176E-02 -0.19425E-04 581 0.589E-02 0.308E-02
DAV: 16 -0.912413912133E+02 -0.11272E-02 -0.35854E-04 666 0.921E-02 0.255E-02
DAV: 17 -0.912416091463E+02 -0.21793E-03 -0.38521E-05 616 0.437E-02 0.145E-02
DAV: 18 -0.912418601945E+02 -0.25105E-03 -0.66803E-05 617 0.382E-02 0.886E-03
DAV: 19 -0.912418889719E+02 -0.28777E-04 -0.67792E-06 520 0.225E-02 0.397E-03
DAV: 20 -0.912419293302E+02 -0.40358E-04 -0.17690E-05 408 0.253E-02 0.624E-03
DAV: 21 -0.912419452908E+02 -0.15961E-04 -0.27657E-06 472 0.113E-02 0.474E-03
DAV: 22 -0.912419502192E+02 -0.49284E-05 -0.29545E-06 426 0.109E-02
1 F= -.91241950E+02 E0= -.91246891E+02 d E =0.148224E-01