./iterations/neb0_image08_iter250_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 0.374469783624E+03 0.37447E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.388287004310E+01 -0.37059E+03 -0.35816E+03 869 0.196E+02
DAV: 3 -0.967773757655E+02 -0.10066E+03 -0.10034E+03 669 0.117E+02
DAV: 4 -0.101289874715E+03 -0.45125E+01 -0.45000E+01 720 0.285E+01
DAV: 5 -0.101376928395E+03 -0.87054E-01 -0.87004E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926653191585E+02 0.87116E+01 -0.31030E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.917929085776E+02 0.87241E+00 -0.17272E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914172929767E+02 0.37562E+00 -0.54095E-01 720 0.395E+00 0.162E+00
DAV: 9 -0.913373702847E+02 0.79923E-01 -0.13298E-01 736 0.155E+00 0.420E-01
DAV: 10 -0.913293446333E+02 0.80257E-02 -0.46025E-02 728 0.111E+00 0.307E-01
DAV: 11 -0.913342880021E+02 -0.49434E-02 -0.15436E-02 616 0.645E-01 0.160E-01
DAV: 12 -0.913370518923E+02 -0.27639E-02 -0.28439E-03 626 0.233E-01 0.114E-01
DAV: 13 -0.913407153623E+02 -0.36635E-02 -0.28015E-03 642 0.276E-01 0.562E-02
DAV: 14 -0.913437865680E+02 -0.30712E-02 -0.84172E-04 672 0.172E-01 0.263E-02
DAV: 15 -0.913452698270E+02 -0.14833E-02 -0.18044E-04 656 0.719E-02 0.193E-02
DAV: 16 -0.913463154773E+02 -0.10457E-02 -0.13518E-04 661 0.645E-02 0.985E-03
DAV: 17 -0.913468134329E+02 -0.49796E-03 -0.45032E-05 589 0.288E-02 0.104E-02
DAV: 18 -0.913469816813E+02 -0.16825E-03 -0.19811E-05 520 0.284E-02 0.428E-03
DAV: 19 -0.913470729760E+02 -0.91295E-04 -0.15715E-05 466 0.172E-02 0.424E-03
DAV: 20 -0.913470846767E+02 -0.11701E-04 -0.17791E-06 528 0.916E-03 0.228E-03
DAV: 21 -0.913471004007E+02 -0.15724E-04 -0.54018E-06 406 0.147E-02 0.300E-03
DAV: 22 -0.913471023843E+02 -0.19836E-05 -0.10456E-06 469 0.678E-03
1 F= -.91347102E+02 E0= -.91352137E+02 d E =0.151027E-01