iterations/neb0_image07_iter298_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 0.373283151941E+03 0.37328E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.385995548997E+01 -0.36942E+03 -0.35830E+03 866 0.194E+02
DAV: 3 -0.965086396041E+02 -0.10037E+03 -0.10004E+03 656 0.117E+02
DAV: 4 -0.101246244715E+03 -0.47376E+01 -0.47254E+01 712 0.293E+01
DAV: 5 -0.101339314516E+03 -0.93070E-01 -0.93029E-01 728 0.370E+00 0.229E+01
DAV: 6 -0.926016050964E+02 0.87377E+01 -0.31058E+01 714 0.302E+01 0.120E+01
DAV: 7 -0.917152747119E+02 0.88633E+00 -0.17304E+00 720 0.616E+00 0.478E+00
DAV: 8 -0.913341495078E+02 0.38113E+00 -0.52610E-01 736 0.388E+00 0.165E+00
DAV: 9 -0.912461690886E+02 0.87980E-01 -0.13400E-01 736 0.155E+00 0.427E-01
DAV: 10 -0.912365841087E+02 0.95850E-02 -0.48029E-02 781 0.114E+00 0.307E-01
DAV: 11 -0.912415725769E+02 -0.49885E-02 -0.15272E-02 610 0.658E-01 0.161E-01
DAV: 12 -0.912440287701E+02 -0.24562E-02 -0.26669E-03 639 0.238E-01 0.121E-01
DAV: 13 -0.912483546078E+02 -0.43258E-02 -0.38131E-03 639 0.316E-01 0.664E-02
DAV: 14 -0.912507930410E+02 -0.24384E-02 -0.65597E-04 696 0.157E-01 0.281E-02
DAV: 15 -0.912534715153E+02 -0.26785E-02 -0.38990E-04 647 0.839E-02 0.217E-02
DAV: 16 -0.912545353919E+02 -0.10639E-02 -0.97738E-05 736 0.624E-02 0.112E-02
DAV: 17 -0.912550925834E+02 -0.55719E-03 -0.10014E-04 645 0.463E-02 0.129E-02
DAV: 18 -0.912552179176E+02 -0.12533E-03 -0.29021E-05 640 0.418E-02 0.326E-03
DAV: 19 -0.912552970646E+02 -0.79147E-04 -0.13259E-05 409 0.166E-02 0.372E-03
DAV: 20 -0.912553216637E+02 -0.24599E-04 -0.33160E-06 480 0.702E-03 0.268E-03
DAV: 21 -0.912553296186E+02 -0.79549E-05 -0.23563E-06 438 0.934E-03
1 F= -.91255330E+02 E0= -.91260078E+02 d E =0.142465E-01