iterations/neb0_image06_iter55_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 0.375145608719E+03 0.37515E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.471966701181E+01 -0.37043E+03 -0.35719E+03 861 0.195E+02
DAV: 3 -0.954641903016E+02 -0.10018E+03 -0.99854E+02 664 0.117E+02
DAV: 4 -0.100002263517E+03 -0.45381E+01 -0.45272E+01 696 0.287E+01
DAV: 5 -0.100096188727E+03 -0.93925E-01 -0.93887E-01 728 0.366E+00 0.225E+01
DAV: 6 -0.915118733200E+02 0.85843E+01 -0.30698E+01 685 0.305E+01 0.117E+01
DAV: 7 -0.906793121971E+02 0.83256E+00 -0.16990E+00 728 0.625E+00 0.480E+00
DAV: 8 -0.902978063037E+02 0.38151E+00 -0.52749E-01 696 0.405E+00 0.164E+00
DAV: 9 -0.902073708383E+02 0.90435E-01 -0.12675E-01 720 0.166E+00 0.431E-01
DAV: 10 -0.901976575259E+02 0.97133E-02 -0.37607E-02 725 0.981E-01 0.307E-01
DAV: 11 -0.902019950555E+02 -0.43375E-02 -0.15216E-02 674 0.867E-01 0.200E-01
DAV: 12 -0.902024417637E+02 -0.44671E-03 -0.41689E-03 674 0.412E-01 0.132E-01
DAV: 13 -0.902068805904E+02 -0.44388E-02 -0.46009E-03 616 0.400E-01 0.119E-01
DAV: 14 -0.902090633712E+02 -0.21828E-02 -0.10105E-03 704 0.181E-01 0.677E-02
DAV: 15 -0.902120672054E+02 -0.30038E-02 -0.99905E-04 701 0.195E-01 0.302E-02
DAV: 16 -0.902142086892E+02 -0.21415E-02 -0.23636E-04 664 0.843E-02 0.242E-02
DAV: 17 -0.902149523802E+02 -0.74369E-03 -0.61700E-05 672 0.386E-02 0.142E-02
DAV: 18 -0.902157520114E+02 -0.79963E-03 -0.14448E-04 636 0.585E-02 0.137E-02
DAV: 19 -0.902157771265E+02 -0.25115E-04 -0.78726E-06 536 0.216E-02 0.102E-02
DAV: 20 -0.902158566997E+02 -0.79573E-04 -0.36269E-05 611 0.371E-02 0.662E-03
DAV: 21 -0.902158951652E+02 -0.38465E-04 -0.55072E-06 504 0.171E-02 0.332E-03
DAV: 22 -0.902159255997E+02 -0.30435E-04 -0.61660E-06 403 0.128E-02 0.136E-03
DAV: 23 -0.902159372549E+02 -0.11655E-04 -0.24498E-06 466 0.708E-03 0.214E-03
DAV: 24 -0.902159385420E+02 -0.12871E-05 -0.39493E-07 512 0.407E-03
1 F= -.90215939E+02 E0= -.90225025E+02 d E =0.272590E-01