iterations/neb0_image05_iter29_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 0.367999662855E+03 0.36800E+03 -0.14290E+04 632 0.799E+02
DAV: 2 0.444225561010E+01 -0.36356E+03 -0.35244E+03 874 0.194E+02
DAV: 3 -0.931167861530E+02 -0.97559E+02 -0.97140E+02 640 0.115E+02
DAV: 4 -0.978948095800E+02 -0.47780E+01 -0.47627E+01 712 0.298E+01
DAV: 5 -0.979951576616E+02 -0.10035E+00 -0.10030E+00 720 0.387E+00 0.218E+01
DAV: 6 -0.895862830999E+02 0.84089E+01 -0.30516E+01 701 0.300E+01 0.113E+01
DAV: 7 -0.888089406505E+02 0.77734E+00 -0.16837E+00 728 0.664E+00 0.475E+00
DAV: 8 -0.884362404947E+02 0.37270E+00 -0.61817E-01 712 0.449E+00 0.169E+00
DAV: 9 -0.883530211296E+02 0.83219E-01 -0.11805E-01 720 0.203E+00 0.585E-01
DAV: 10 -0.883388683766E+02 0.14153E-01 -0.33137E-02 728 0.927E-01 0.357E-01
DAV: 11 -0.883375761761E+02 0.12922E-02 -0.12762E-02 752 0.722E-01 0.203E-01
DAV: 12 -0.883401675886E+02 -0.25914E-02 -0.49160E-03 596 0.360E-01 0.137E-01
DAV: 13 -0.883438266264E+02 -0.36590E-02 -0.19460E-03 633 0.258E-01 0.810E-02
DAV: 14 -0.883483292669E+02 -0.45026E-02 -0.21245E-03 650 0.262E-01 0.958E-02
DAV: 15 -0.883501003973E+02 -0.17711E-02 -0.10794E-03 960 0.279E-01 0.418E-02
DAV: 16 -0.883517673898E+02 -0.16670E-02 -0.51519E-04 618 0.117E-01 0.407E-02
DAV: 17 -0.883528497155E+02 -0.10823E-02 -0.18486E-04 805 0.834E-02 0.218E-02
DAV: 18 -0.883535934108E+02 -0.74370E-03 -0.19283E-04 729 0.858E-02 0.179E-02
DAV: 19 -0.883539837427E+02 -0.39033E-03 -0.44729E-05 594 0.450E-02 0.969E-03
DAV: 20 -0.883541683737E+02 -0.18463E-03 -0.37416E-05 666 0.292E-02 0.517E-03
DAV: 21 -0.883542296044E+02 -0.61231E-04 -0.52923E-06 461 0.134E-02 0.229E-03
DAV: 22 -0.883542756736E+02 -0.46069E-04 -0.63603E-06 415 0.916E-03 0.224E-03
DAV: 23 -0.883542824022E+02 -0.67287E-05 -0.10517E-06 504 0.445E-03
1 F= -.88354282E+02 E0= -.88363038E+02 d E =0.262661E-01