iterations/neb0_image07_iter49_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 0.373888774430E+03 0.37389E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.380465219716E+01 -0.37008E+03 -0.35720E+03 861 0.195E+02
DAV: 3 -0.962760975721E+02 -0.10008E+03 -0.99742E+02 672 0.117E+02
DAV: 4 -0.100713799919E+03 -0.44377E+01 -0.44270E+01 712 0.283E+01
DAV: 5 -0.100801912598E+03 -0.88113E-01 -0.88078E-01 728 0.356E+00 0.226E+01
DAV: 6 -0.922298806069E+02 0.85720E+01 -0.30577E+01 674 0.302E+01 0.118E+01
DAV: 7 -0.913701951601E+02 0.85969E+00 -0.16567E+00 736 0.616E+00 0.481E+00
DAV: 8 -0.909872028557E+02 0.38299E+00 -0.56631E-01 696 0.414E+00 0.163E+00
DAV: 9 -0.909017701905E+02 0.85433E-01 -0.13031E-01 720 0.158E+00 0.431E-01
DAV: 10 -0.908915122280E+02 0.10258E-01 -0.48458E-02 728 0.111E+00 0.314E-01
DAV: 11 -0.908963724111E+02 -0.48602E-02 -0.14321E-02 610 0.648E-01 0.162E-01
DAV: 12 -0.908986623613E+02 -0.22900E-02 -0.27723E-03 633 0.250E-01 0.143E-01
DAV: 13 -0.909029070666E+02 -0.42447E-02 -0.38058E-03 666 0.361E-01 0.653E-02
DAV: 14 -0.909047868249E+02 -0.18798E-02 -0.46000E-04 680 0.133E-01 0.479E-02
DAV: 15 -0.909081108926E+02 -0.33241E-02 -0.61220E-04 625 0.125E-01 0.291E-02
DAV: 16 -0.909088832423E+02 -0.77235E-03 -0.94535E-05 688 0.557E-02 0.184E-02
DAV: 17 -0.909095704858E+02 -0.68724E-03 -0.96028E-05 631 0.581E-02 0.978E-03
DAV: 18 -0.909100236437E+02 -0.45316E-03 -0.42767E-05 589 0.265E-02 0.987E-03
DAV: 19 -0.909101094192E+02 -0.85776E-04 -0.82524E-06 504 0.180E-02 0.433E-03
DAV: 20 -0.909101748426E+02 -0.65423E-04 -0.16593E-05 427 0.208E-02 0.447E-03
DAV: 21 -0.909101834021E+02 -0.85595E-05 -0.19102E-06 520 0.978E-03
1 F= -.90910183E+02 E0= -.90915403E+02 d E =0.156596E-01