./iterations/neb0_image05_iter79_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 0.372985054022E+03 0.37299E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.345114284540E+01 -0.36953E+03 -0.35743E+03 885 0.194E+02
DAV: 3 -0.940993038757E+02 -0.97550E+02 -0.97205E+02 645 0.116E+02
DAV: 4 -0.986195241953E+02 -0.45202E+01 -0.45087E+01 704 0.292E+01
DAV: 5 -0.987180699004E+02 -0.98546E-01 -0.98507E-01 744 0.381E+00 0.218E+01
DAV: 6 -0.904610419030E+02 0.82570E+01 -0.28839E+01 698 0.290E+01 0.112E+01
DAV: 7 -0.896124448745E+02 0.84860E+00 -0.17932E+00 720 0.674E+00 0.468E+00
DAV: 8 -0.892268534717E+02 0.38559E+00 -0.61395E-01 704 0.443E+00 0.155E+00
DAV: 9 -0.891433357958E+02 0.83518E-01 -0.12377E-01 736 0.163E+00 0.439E-01
DAV: 10 -0.891320751187E+02 0.11261E-01 -0.47984E-02 704 0.117E+00 0.333E-01
DAV: 11 -0.891338604056E+02 -0.17853E-02 -0.98228E-03 629 0.567E-01 0.119E-01
DAV: 12 -0.891360063249E+02 -0.21459E-02 -0.31601E-03 688 0.303E-01 0.115E-01
DAV: 13 -0.891413266325E+02 -0.53203E-02 -0.16792E-03 791 0.281E-01 0.661E-02
DAV: 14 -0.891439928598E+02 -0.26662E-02 -0.76089E-04 682 0.130E-01 0.415E-02
DAV: 15 -0.891472864310E+02 -0.32936E-02 -0.76018E-04 701 0.154E-01 0.341E-02
DAV: 16 -0.891480407986E+02 -0.75437E-03 -0.85458E-05 784 0.621E-02 0.211E-02
DAV: 17 -0.891490437300E+02 -0.10029E-02 -0.20833E-04 647 0.781E-02 0.140E-02
DAV: 18 -0.891494415692E+02 -0.39784E-03 -0.44919E-05 648 0.476E-02 0.752E-03
DAV: 19 -0.891495889885E+02 -0.14742E-03 -0.23237E-05 520 0.252E-02 0.556E-03
DAV: 20 -0.891496801581E+02 -0.91170E-04 -0.14346E-05 444 0.219E-02 0.351E-03
DAV: 21 -0.891497060169E+02 -0.25859E-04 -0.38434E-06 472 0.969E-03 0.296E-03
DAV: 22 -0.891497170327E+02 -0.11016E-04 -0.32753E-06 437 0.119E-02 0.183E-03
DAV: 23 -0.891497205897E+02 -0.35570E-05 -0.11277E-06 480 0.653E-03
1 F= -.89149721E+02 E0= -.89153819E+02 d E =0.122944E-01