./iterations/neb0_image03_iter33_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 0.368811748079E+03 0.36881E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.335328760444E+01 -0.36546E+03 -0.35277E+03 853 0.195E+02
DAV: 3 -0.953998452460E+02 -0.98753E+02 -0.98427E+02 664 0.116E+02
DAV: 4 -0.999349298540E+02 -0.45351E+01 -0.45255E+01 728 0.287E+01
DAV: 5 -0.100022071848E+03 -0.87142E-01 -0.87100E-01 736 0.359E+00 0.224E+01
DAV: 6 -0.913854837998E+02 0.86366E+01 -0.30287E+01 696 0.296E+01 0.118E+01
DAV: 7 -0.905073629784E+02 0.87812E+00 -0.18080E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.901035320878E+02 0.40383E+00 -0.57974E-01 704 0.434E+00 0.166E+00
DAV: 9 -0.900112210548E+02 0.92311E-01 -0.14078E-01 712 0.168E+00 0.444E-01
DAV: 10 -0.900033891100E+02 0.78319E-02 -0.44479E-02 704 0.119E+00 0.329E-01
DAV: 11 -0.900069295982E+02 -0.35405E-02 -0.69755E-03 605 0.515E-01 0.121E-01
DAV: 12 -0.900098121552E+02 -0.28826E-02 -0.51184E-03 637 0.327E-01 0.120E-01
DAV: 13 -0.900136316361E+02 -0.38195E-02 -0.15598E-03 832 0.317E-01 0.743E-02
DAV: 14 -0.900168951951E+02 -0.32636E-02 -0.93126E-04 639 0.136E-01 0.504E-02
DAV: 15 -0.900195985851E+02 -0.27034E-02 -0.47359E-04 677 0.121E-01 0.288E-02
DAV: 16 -0.900211459613E+02 -0.15474E-02 -0.32672E-04 669 0.921E-02 0.279E-02
DAV: 17 -0.900216543659E+02 -0.50840E-03 -0.65576E-05 688 0.511E-02 0.148E-02
DAV: 18 -0.900220522831E+02 -0.39792E-03 -0.10581E-04 642 0.524E-02 0.117E-02
DAV: 19 -0.900220803653E+02 -0.28082E-04 -0.48273E-06 520 0.171E-02 0.873E-03
DAV: 20 -0.900221532943E+02 -0.72929E-04 -0.29480E-05 618 0.339E-02 0.598E-03
DAV: 21 -0.900221788006E+02 -0.25506E-04 -0.46046E-06 472 0.189E-02 0.246E-03
DAV: 22 -0.900222024902E+02 -0.23690E-04 -0.73153E-06 423 0.140E-02 0.272E-03
DAV: 23 -0.900222096247E+02 -0.71345E-05 -0.11503E-06 469 0.527E-03
1 F= -.90022210E+02 E0= -.90031202E+02 d E =0.269780E-01