iterations/neb0_image04_iter79_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 0.371075388196E+03 0.37108E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.448536313623E+01 -0.36659E+03 -0.35377E+03 850 0.195E+02
DAV: 3 -0.954428637935E+02 -0.99928E+02 -0.99617E+02 682 0.117E+02
DAV: 4 -0.997991670762E+02 -0.43563E+01 -0.43460E+01 712 0.278E+01
DAV: 5 -0.998821802633E+02 -0.83013E-01 -0.82979E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.913879583673E+02 0.84942E+01 -0.29989E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905306335064E+02 0.85732E+00 -0.17272E+00 720 0.626E+00 0.479E+00
DAV: 8 -0.901325338061E+02 0.39810E+00 -0.55616E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.900381853674E+02 0.94348E-01 -0.13623E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.900290136742E+02 0.91717E-02 -0.55320E-02 712 0.131E+00 0.341E-01
DAV: 11 -0.900330304104E+02 -0.40167E-02 -0.11742E-02 610 0.615E-01 0.131E-01
DAV: 12 -0.900356529334E+02 -0.26225E-02 -0.44762E-03 631 0.306E-01 0.130E-01
DAV: 13 -0.900392693177E+02 -0.36164E-02 -0.17332E-03 853 0.328E-01 0.715E-02
DAV: 14 -0.900425399969E+02 -0.32707E-02 -0.10792E-03 642 0.153E-01 0.543E-02
DAV: 15 -0.900452044485E+02 -0.26645E-02 -0.40100E-04 714 0.109E-01 0.396E-02
DAV: 16 -0.900466237479E+02 -0.14193E-02 -0.52649E-04 688 0.123E-01 0.309E-02
DAV: 17 -0.900474240553E+02 -0.80031E-03 -0.19154E-04 855 0.906E-02 0.135E-02
DAV: 18 -0.900476713576E+02 -0.24730E-03 -0.35538E-05 600 0.361E-02 0.718E-03
DAV: 19 -0.900478546171E+02 -0.18326E-03 -0.26466E-05 521 0.211E-02 0.365E-03
DAV: 20 -0.900478676530E+02 -0.13036E-04 -0.21996E-06 528 0.104E-02 0.322E-03
DAV: 21 -0.900479226555E+02 -0.55002E-04 -0.81866E-06 403 0.139E-02 0.292E-03
DAV: 22 -0.900479283083E+02 -0.56529E-05 -0.14825E-06 493 0.756E-03
1 F= -.90047928E+02 E0= -.90052044E+02 d E =0.123462E-01