./iterations/neb0_image06_iter144_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 0.372036533137E+03 0.37204E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.374440635674E+01 -0.36829E+03 -0.35625E+03 874 0.193E+02
DAV: 3 -0.959436022822E+02 -0.99688E+02 -0.99360E+02 693 0.116E+02
DAV: 4 -0.100385762890E+03 -0.44422E+01 -0.44299E+01 696 0.276E+01
DAV: 5 -0.100473473663E+03 -0.87711E-01 -0.87669E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.919141789145E+02 0.85593E+01 -0.30481E+01 696 0.303E+01 0.119E+01
DAV: 7 -0.910760103354E+02 0.83817E+00 -0.17116E+00 720 0.630E+00 0.482E+00
DAV: 8 -0.906973679130E+02 0.37864E+00 -0.55408E-01 720 0.414E+00 0.167E+00
DAV: 9 -0.906096256721E+02 0.87742E-01 -0.13039E-01 720 0.163E+00 0.427E-01
DAV: 10 -0.905998708991E+02 0.97548E-02 -0.33406E-02 728 0.916E-01 0.280E-01
DAV: 11 -0.906035954451E+02 -0.37245E-02 -0.84620E-03 610 0.475E-01 0.138E-01
DAV: 12 -0.906062161355E+02 -0.26207E-02 -0.17589E-03 666 0.264E-01 0.827E-02
DAV: 13 -0.906102258323E+02 -0.40097E-02 -0.17052E-03 620 0.197E-01 0.717E-02
DAV: 14 -0.906135839969E+02 -0.33582E-02 -0.13824E-03 744 0.262E-01 0.453E-02
DAV: 15 -0.906152360669E+02 -0.16521E-02 -0.28608E-04 712 0.101E-01 0.422E-02
DAV: 16 -0.906167279520E+02 -0.14919E-02 -0.40822E-04 666 0.120E-01 0.209E-02
DAV: 17 -0.906175767709E+02 -0.84882E-03 -0.13810E-04 672 0.674E-02 0.134E-02
DAV: 18 -0.906178031668E+02 -0.22640E-03 -0.27251E-05 621 0.255E-02 0.819E-03
DAV: 19 -0.906179716176E+02 -0.16845E-03 -0.18276E-05 425 0.196E-02 0.304E-03
DAV: 20 -0.906180089110E+02 -0.37293E-04 -0.45306E-06 512 0.977E-03 0.192E-03
DAV: 21 -0.906180355618E+02 -0.26651E-04 -0.29291E-06 414 0.804E-03 0.123E-03
DAV: 22 -0.906180476450E+02 -0.12083E-04 -0.20814E-06 447 0.663E-03 0.122E-03
DAV: 23 -0.906180500441E+02 -0.23991E-05 -0.87559E-07 456 0.524E-03
1 F= -.90618050E+02 E0= -.90622007E+02 d E =0.118718E-01