./iterations/neb0_image04_iter61_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 0.370835864507E+03 0.37084E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.447946612999E+01 -0.36636E+03 -0.35382E+03 853 0.195E+02
DAV: 3 -0.952712273058E+02 -0.99751E+02 -0.99422E+02 682 0.116E+02
DAV: 4 -0.996927217860E+02 -0.44215E+01 -0.44116E+01 712 0.278E+01
DAV: 5 -0.997784336179E+02 -0.85712E-01 -0.85669E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.912883870794E+02 0.84900E+01 -0.30029E+01 690 0.295E+01 0.116E+01
DAV: 7 -0.904448689559E+02 0.84352E+00 -0.17636E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900483914039E+02 0.39648E+00 -0.55758E-01 704 0.427E+00 0.166E+00
DAV: 9 -0.899533390665E+02 0.95052E-01 -0.13544E-01 704 0.182E+00 0.447E-01
DAV: 10 -0.899429920691E+02 0.10347E-01 -0.55103E-02 720 0.138E+00 0.346E-01
DAV: 11 -0.899466657013E+02 -0.36736E-02 -0.14226E-02 629 0.677E-01 0.146E-01
DAV: 12 -0.899481422441E+02 -0.14765E-02 -0.41916E-03 650 0.310E-01 0.130E-01
DAV: 13 -0.899519996597E+02 -0.38574E-02 -0.30789E-03 850 0.433E-01 0.748E-02
DAV: 14 -0.899554871067E+02 -0.34874E-02 -0.12573E-03 653 0.182E-01 0.626E-02
DAV: 15 -0.899572959420E+02 -0.18088E-02 -0.32070E-04 824 0.121E-01 0.296E-02
DAV: 16 -0.899592379025E+02 -0.19420E-02 -0.44351E-04 661 0.113E-01 0.281E-02
DAV: 17 -0.899600975951E+02 -0.85969E-03 -0.67809E-05 616 0.433E-02 0.229E-02
DAV: 18 -0.899605397408E+02 -0.44215E-03 -0.14384E-04 653 0.700E-02 0.105E-02
DAV: 19 -0.899606418107E+02 -0.10207E-03 -0.10372E-05 488 0.242E-02 0.670E-03
DAV: 20 -0.899607325944E+02 -0.90784E-04 -0.20229E-05 495 0.233E-02 0.348E-03
DAV: 21 -0.899607697238E+02 -0.37129E-04 -0.34165E-06 461 0.102E-02 0.257E-03
DAV: 22 -0.899607820308E+02 -0.12307E-04 -0.30138E-06 480 0.859E-03 0.152E-03
DAV: 23 -0.899607868609E+02 -0.48301E-05 -0.91158E-07 434 0.453E-03
1 F= -.89960787E+02 E0= -.89965957E+02 d E =0.155090E-01