./iterations/neb0_image08_iter274_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 0.374157490638E+03 0.37416E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.328334448005E+01 -0.37087E+03 -0.35944E+03 877 0.196E+02
DAV: 3 -0.965398334590E+02 -0.99823E+02 -0.99510E+02 653 0.116E+02
DAV: 4 -0.101224735322E+03 -0.46849E+01 -0.46724E+01 720 0.291E+01
DAV: 5 -0.101317402753E+03 -0.92667E-01 -0.92624E-01 736 0.369E+00 0.227E+01
DAV: 6 -0.926544668952E+02 0.86629E+01 -0.30879E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917891841071E+02 0.86528E+00 -0.16984E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914150281360E+02 0.37416E+00 -0.54721E-01 720 0.399E+00 0.161E+00
DAV: 9 -0.913359313430E+02 0.79097E-01 -0.12955E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913276719376E+02 0.82594E-02 -0.45670E-02 736 0.109E+00 0.306E-01
DAV: 11 -0.913326047110E+02 -0.49328E-02 -0.14541E-02 608 0.621E-01 0.155E-01
DAV: 12 -0.913355624230E+02 -0.29577E-02 -0.30220E-03 637 0.236E-01 0.113E-01
DAV: 13 -0.913393260360E+02 -0.37636E-02 -0.25827E-03 647 0.268E-01 0.560E-02
DAV: 14 -0.913426265815E+02 -0.33005E-02 -0.92867E-04 640 0.175E-01 0.292E-02
DAV: 15 -0.913438120341E+02 -0.11855E-02 -0.17169E-04 696 0.739E-02 0.201E-02
DAV: 16 -0.913448186764E+02 -0.10066E-02 -0.16702E-04 631 0.781E-02 0.119E-02
DAV: 17 -0.913452414144E+02 -0.42274E-03 -0.36294E-05 680 0.333E-02 0.114E-02
DAV: 18 -0.913453965585E+02 -0.15514E-03 -0.19523E-05 496 0.262E-02 0.558E-03
DAV: 19 -0.913455331757E+02 -0.13662E-03 -0.19557E-05 487 0.185E-02 0.380E-03
DAV: 20 -0.913455540124E+02 -0.20837E-04 -0.18671E-06 520 0.792E-03 0.210E-03
DAV: 21 -0.913455737871E+02 -0.19775E-04 -0.50924E-06 403 0.131E-02 0.240E-03
DAV: 22 -0.913455743169E+02 -0.52981E-06 -0.79866E-07 536 0.616E-03
1 F= -.91345574E+02 E0= -.91350266E+02 d E =0.140748E-01