iterations/neb0_image02_iter296_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 0.366309464063E+03 0.36631E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.159024143479E+01 -0.36472E+03 -0.35282E+03 861 0.196E+02
DAV: 3 -0.955658936617E+02 -0.97156E+02 -0.96822E+02 632 0.116E+02
DAV: 4 -0.100292347073E+03 -0.47265E+01 -0.47152E+01 704 0.298E+01
DAV: 5 -0.100386223547E+03 -0.93876E-01 -0.93838E-01 720 0.377E+00 0.223E+01
DAV: 6 -0.916764832932E+02 0.87097E+01 -0.30868E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908412724175E+02 0.83521E+00 -0.18221E+00 712 0.633E+00 0.484E+00
DAV: 8 -0.904650871090E+02 0.37619E+00 -0.54064E-01 704 0.422E+00 0.171E+00
DAV: 9 -0.903825414771E+02 0.82546E-01 -0.12338E-01 720 0.199E+00 0.440E-01
DAV: 10 -0.903784692819E+02 0.40722E-02 -0.37403E-02 709 0.105E+00 0.324E-01
DAV: 11 -0.903816290001E+02 -0.31597E-02 -0.77750E-03 760 0.643E-01 0.144E-01
DAV: 12 -0.903843188046E+02 -0.26898E-02 -0.35724E-03 618 0.378E-01 0.105E-01
DAV: 13 -0.903878325406E+02 -0.35137E-02 -0.20134E-03 706 0.246E-01 0.718E-02
DAV: 14 -0.903915784691E+02 -0.37459E-02 -0.88609E-04 639 0.145E-01 0.429E-02
DAV: 15 -0.903929818805E+02 -0.14034E-02 -0.19973E-04 744 0.985E-02 0.215E-02
DAV: 16 -0.903946405359E+02 -0.16587E-02 -0.25296E-04 669 0.898E-02 0.195E-02
DAV: 17 -0.903951889818E+02 -0.54845E-03 -0.86793E-05 752 0.666E-02 0.163E-02
DAV: 18 -0.903954038272E+02 -0.21485E-03 -0.49420E-05 664 0.424E-02 0.115E-02
DAV: 19 -0.903955481581E+02 -0.14433E-03 -0.28184E-05 586 0.368E-02 0.421E-03
DAV: 20 -0.903956369379E+02 -0.88780E-04 -0.12503E-05 461 0.180E-02 0.361E-03
DAV: 21 -0.903956755405E+02 -0.38603E-04 -0.53729E-06 456 0.954E-03 0.199E-03
DAV: 22 -0.903956872956E+02 -0.11755E-04 -0.29737E-06 463 0.105E-02 0.140E-03
DAV: 23 -0.903956908384E+02 -0.35428E-05 -0.10156E-06 456 0.491E-03
1 F= -.90395691E+02 E0= -.90404379E+02 d E =0.260641E-01