iterations/neb0_image06_iter214_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 0.370431776021E+03 0.37043E+03 -0.14346E+04 640 0.799E+02
DAV: 2 0.421558700391E+01 -0.36622E+03 -0.35413E+03 858 0.193E+02
DAV: 3 -0.954630567852E+02 -0.99679E+02 -0.99329E+02 656 0.116E+02
DAV: 4 -0.100309986068E+03 -0.48469E+01 -0.48324E+01 728 0.292E+01
DAV: 5 -0.100410821618E+03 -0.10084E+00 -0.10078E+00 736 0.376E+00 0.225E+01
DAV: 6 -0.918524276642E+02 0.85584E+01 -0.30465E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.910335820314E+02 0.81885E+00 -0.17581E+00 704 0.630E+00 0.480E+00
DAV: 8 -0.906587929015E+02 0.37479E+00 -0.54470E-01 704 0.412E+00 0.167E+00
DAV: 9 -0.905685060165E+02 0.90287E-01 -0.12962E-01 712 0.158E+00 0.424E-01
DAV: 10 -0.905583032720E+02 0.10203E-01 -0.37249E-02 752 0.957E-01 0.286E-01
DAV: 11 -0.905624489441E+02 -0.41457E-02 -0.94150E-03 602 0.499E-01 0.144E-01
DAV: 12 -0.905652665031E+02 -0.28176E-02 -0.26332E-03 620 0.281E-01 0.821E-02
DAV: 13 -0.905690953168E+02 -0.38288E-02 -0.13518E-03 636 0.166E-01 0.661E-02
DAV: 14 -0.905728990188E+02 -0.38037E-02 -0.12139E-03 701 0.236E-01 0.439E-02
DAV: 15 -0.905743007954E+02 -0.14018E-02 -0.25740E-04 760 0.102E-01 0.392E-02
DAV: 16 -0.905758638365E+02 -0.15630E-02 -0.45913E-04 687 0.126E-01 0.203E-02
DAV: 17 -0.905764759941E+02 -0.61216E-03 -0.95394E-05 717 0.588E-02 0.135E-02
DAV: 18 -0.905767240076E+02 -0.24801E-03 -0.28527E-05 592 0.213E-02 0.803E-03
DAV: 19 -0.905768381364E+02 -0.11413E-03 -0.15450E-05 444 0.224E-02 0.202E-03
DAV: 20 -0.905768695691E+02 -0.31433E-04 -0.78972E-06 477 0.135E-02 0.359E-03
DAV: 21 -0.905768835466E+02 -0.13978E-04 -0.22044E-06 417 0.596E-03 0.305E-03
DAV: 22 -0.905768858549E+02 -0.23083E-05 -0.14435E-06 464 0.849E-03
1 F= -.90576886E+02 E0= -.90581751E+02 d E =0.145950E-01