iterations/neb0_image08_iter174_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 0.373866223496E+03 0.37387E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.357742474702E+01 -0.37029E+03 -0.35816E+03 863 0.196E+02
DAV: 3 -0.967311608189E+02 -0.10031E+03 -0.10000E+03 677 0.117E+02
DAV: 4 -0.101237873491E+03 -0.45067E+01 -0.44940E+01 712 0.283E+01
DAV: 5 -0.101326439511E+03 -0.88566E-01 -0.88510E-01 712 0.359E+00 0.227E+01
DAV: 6 -0.926552966897E+02 0.86711E+01 -0.30946E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917876206437E+02 0.86768E+00 -0.17286E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914125424628E+02 0.37508E+00 -0.54788E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913329141675E+02 0.79628E-01 -0.12977E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913248369573E+02 0.80772E-02 -0.43705E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913295357277E+02 -0.46988E-02 -0.12635E-02 608 0.585E-01 0.141E-01
DAV: 12 -0.913324730122E+02 -0.29373E-02 -0.27224E-03 633 0.255E-01 0.976E-02
DAV: 13 -0.913357900525E+02 -0.33170E-02 -0.12936E-03 634 0.180E-01 0.464E-02
DAV: 14 -0.913393948383E+02 -0.36048E-02 -0.10255E-03 770 0.219E-01 0.458E-02
DAV: 15 -0.913401806600E+02 -0.78582E-03 -0.26291E-04 704 0.110E-01 0.353E-02
DAV: 16 -0.913412706291E+02 -0.10900E-02 -0.25508E-04 709 0.873E-02 0.126E-02
DAV: 17 -0.913421065900E+02 -0.83596E-03 -0.85600E-05 656 0.413E-02 0.141E-02
DAV: 18 -0.913423956516E+02 -0.28906E-03 -0.35910E-05 600 0.300E-02 0.936E-03
DAV: 19 -0.913424915081E+02 -0.95856E-04 -0.30905E-05 624 0.306E-02 0.706E-03
DAV: 20 -0.913425147871E+02 -0.23279E-04 -0.31199E-06 488 0.128E-02 0.480E-03
DAV: 21 -0.913425310668E+02 -0.16280E-04 -0.55574E-06 407 0.134E-02 0.154E-03
DAV: 22 -0.913425373207E+02 -0.62539E-05 -0.13404E-06 472 0.570E-03
1 F= -.91342537E+02 E0= -.91347703E+02 d E =0.154964E-01