./iterations/neb0_image08_iter299_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 0.374947368288E+03 0.37495E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.426712700156E+01 -0.37068E+03 -0.35927E+03 869 0.195E+02
DAV: 3 -0.964526495313E+02 -0.10072E+03 -0.10038E+03 656 0.117E+02
DAV: 4 -0.101237397265E+03 -0.47847E+01 -0.47738E+01 704 0.297E+01
DAV: 5 -0.101331889543E+03 -0.94492E-01 -0.94453E-01 736 0.378E+00 0.227E+01
DAV: 6 -0.926445469827E+02 0.86873E+01 -0.30970E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.917793343712E+02 0.86521E+00 -0.17139E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914057829733E+02 0.37355E+00 -0.52929E-01 728 0.392E+00 0.164E+00
DAV: 9 -0.913220358442E+02 0.83747E-01 -0.13060E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913131372896E+02 0.88986E-02 -0.45673E-02 765 0.109E+00 0.303E-01
DAV: 11 -0.913181729355E+02 -0.50356E-02 -0.14674E-02 605 0.633E-01 0.160E-01
DAV: 12 -0.913208242087E+02 -0.26513E-02 -0.28175E-03 631 0.237E-01 0.113E-01
DAV: 13 -0.913248551598E+02 -0.40310E-02 -0.30182E-03 639 0.283E-01 0.610E-02
DAV: 14 -0.913279437773E+02 -0.30886E-02 -0.89822E-04 688 0.182E-01 0.268E-02
DAV: 15 -0.913296781813E+02 -0.17344E-02 -0.21921E-04 647 0.717E-02 0.208E-02
DAV: 16 -0.913305930720E+02 -0.91489E-03 -0.12112E-04 669 0.688E-02 0.122E-02
DAV: 17 -0.913311380829E+02 -0.54501E-03 -0.78065E-05 648 0.389E-02 0.123E-02
DAV: 18 -0.913312230526E+02 -0.84970E-04 -0.79621E-06 528 0.247E-02 0.624E-03
DAV: 19 -0.913313761655E+02 -0.15311E-03 -0.44867E-05 601 0.356E-02 0.856E-03
DAV: 20 -0.913313831171E+02 -0.69516E-05 -0.39159E-06 520 0.189E-02
1 F= -.91331383E+02 E0= -.91336041E+02 d E =0.139725E-01