iterations/neb0_image08_iter11_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 0.369480309893E+03 0.36948E+03 -0.14256E+04 624 0.799E+02
DAV: 2 0.260950727429E+01 -0.36687E+03 -0.35471E+03 869 0.195E+02
DAV: 3 -0.961291753309E+02 -0.98739E+02 -0.98392E+02 688 0.115E+02
DAV: 4 -0.100481245957E+03 -0.43521E+01 -0.43395E+01 696 0.273E+01
DAV: 5 -0.100569348190E+03 -0.88102E-01 -0.88045E-01 744 0.348E+00 0.222E+01
DAV: 6 -0.919722499007E+02 0.85971E+01 -0.30838E+01 720 0.300E+01 0.116E+01
DAV: 7 -0.911329340375E+02 0.83932E+00 -0.17369E+00 704 0.644E+00 0.476E+00
DAV: 8 -0.907633810814E+02 0.36955E+00 -0.60177E-01 712 0.418E+00 0.165E+00
DAV: 9 -0.906837225038E+02 0.79659E-01 -0.12523E-01 701 0.161E+00 0.452E-01
DAV: 10 -0.906750864334E+02 0.86361E-02 -0.29515E-02 744 0.827E-01 0.269E-01
DAV: 11 -0.906797860277E+02 -0.46996E-02 -0.12271E-02 599 0.647E-01 0.183E-01
DAV: 12 -0.906807825818E+02 -0.99655E-03 -0.25282E-03 712 0.321E-01 0.104E-01
DAV: 13 -0.906856440566E+02 -0.48615E-02 -0.42375E-03 691 0.412E-01 0.936E-02
DAV: 14 -0.906868385987E+02 -0.11945E-02 -0.68492E-04 832 0.207E-01 0.549E-02
DAV: 15 -0.906891387521E+02 -0.23002E-02 -0.10916E-03 669 0.200E-01 0.397E-02
DAV: 16 -0.906908772457E+02 -0.17385E-02 -0.25510E-04 746 0.113E-01 0.233E-02
DAV: 17 -0.906919285233E+02 -0.10513E-02 -0.14695E-04 653 0.584E-02 0.702E-03
DAV: 18 -0.906924427326E+02 -0.51421E-03 -0.50243E-05 605 0.274E-02 0.840E-03
DAV: 19 -0.906926068107E+02 -0.16408E-03 -0.14030E-05 485 0.224E-02 0.315E-03
DAV: 20 -0.906926575316E+02 -0.50721E-04 -0.66106E-06 501 0.110E-02 0.243E-03
DAV: 21 -0.906926884536E+02 -0.30922E-04 -0.37226E-06 395 0.111E-02 0.192E-03
DAV: 22 -0.906926987109E+02 -0.10257E-04 -0.19196E-06 488 0.731E-03 0.126E-03
DAV: 23 -0.906927006878E+02 -0.19769E-05 -0.10009E-06 490 0.593E-03
1 F= -.90692701E+02 E0= -.90696822E+02 d E =0.123636E-01