./iterations/neb0_image06_iter51_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 0.375450929503E+03 0.37545E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.472718578752E+01 -0.37072E+03 -0.35749E+03 861 0.195E+02
DAV: 3 -0.955659370964E+02 -0.10029E+03 -0.99965E+02 672 0.117E+02
DAV: 4 -0.999925021372E+02 -0.44266E+01 -0.44158E+01 704 0.283E+01
DAV: 5 -0.100083035189E+03 -0.90533E-01 -0.90498E-01 728 0.358E+00 0.226E+01
DAV: 6 -0.914864983860E+02 0.85965E+01 -0.30678E+01 677 0.305E+01 0.117E+01
DAV: 7 -0.906535855298E+02 0.83291E+00 -0.17041E+00 728 0.624E+00 0.480E+00
DAV: 8 -0.902732207277E+02 0.38036E+00 -0.52893E-01 704 0.408E+00 0.165E+00
DAV: 9 -0.901831573000E+02 0.90063E-01 -0.12552E-01 720 0.160E+00 0.427E-01
DAV: 10 -0.901735690794E+02 0.95882E-02 -0.41554E-02 717 0.102E+00 0.315E-01
DAV: 11 -0.901786888989E+02 -0.51198E-02 -0.16776E-02 658 0.903E-01 0.213E-01
DAV: 12 -0.901791533089E+02 -0.46441E-03 -0.44779E-03 668 0.375E-01 0.154E-01
DAV: 13 -0.901831249958E+02 -0.39717E-02 -0.45064E-03 627 0.437E-01 0.105E-01
DAV: 14 -0.901856168458E+02 -0.24918E-02 -0.10274E-03 688 0.175E-01 0.823E-02
DAV: 15 -0.901880784218E+02 -0.24616E-02 -0.83739E-04 693 0.196E-01 0.390E-02
DAV: 16 -0.901903252863E+02 -0.22469E-02 -0.64395E-04 672 0.143E-01 0.332E-02
DAV: 17 -0.901910127908E+02 -0.68750E-03 -0.92412E-05 712 0.601E-02 0.230E-02
DAV: 18 -0.901916290394E+02 -0.61625E-03 -0.10764E-04 647 0.505E-02 0.771E-03
DAV: 19 -0.901917924221E+02 -0.16338E-03 -0.11903E-05 512 0.236E-02 0.649E-03
DAV: 20 -0.901919083193E+02 -0.11590E-03 -0.21138E-05 495 0.234E-02 0.609E-03
DAV: 21 -0.901919314960E+02 -0.23177E-04 -0.29228E-06 528 0.141E-02 0.301E-03
DAV: 22 -0.901919595267E+02 -0.28031E-04 -0.75391E-06 400 0.153E-02 0.298E-03
DAV: 23 -0.901919659602E+02 -0.64335E-05 -0.16041E-06 471 0.726E-03
1 F= -.90191966E+02 E0= -.90201906E+02 d E =0.298189E-01