./iterations/neb0_image05_iter90_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 0.373800117667E+03 0.37380E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.345319902773E+01 -0.37035E+03 -0.35799E+03 885 0.195E+02
DAV: 3 -0.942039958052E+02 -0.97657E+02 -0.97315E+02 634 0.116E+02
DAV: 4 -0.987547535550E+02 -0.45508E+01 -0.45398E+01 701 0.296E+01
DAV: 5 -0.988537400841E+02 -0.98987E-01 -0.98941E-01 728 0.385E+00 0.219E+01
DAV: 6 -0.905238708425E+02 0.83299E+01 -0.28668E+01 690 0.288E+01 0.112E+01
DAV: 7 -0.896429918835E+02 0.88088E+00 -0.17956E+00 720 0.672E+00 0.469E+00
DAV: 8 -0.892512355636E+02 0.39176E+00 -0.62394E-01 712 0.451E+00 0.155E+00
DAV: 9 -0.891683588717E+02 0.82877E-01 -0.12328E-01 728 0.165E+00 0.447E-01
DAV: 10 -0.891559780262E+02 0.12381E-01 -0.50682E-02 720 0.123E+00 0.341E-01
DAV: 11 -0.891573485460E+02 -0.13705E-02 -0.10551E-02 629 0.591E-01 0.117E-01
DAV: 12 -0.891595650030E+02 -0.22165E-02 -0.35562E-03 688 0.314E-01 0.126E-01
DAV: 13 -0.891654843522E+02 -0.59193E-02 -0.25338E-03 759 0.361E-01 0.714E-02
DAV: 14 -0.891678400063E+02 -0.23557E-02 -0.80103E-04 680 0.139E-01 0.554E-02
DAV: 15 -0.891706438991E+02 -0.28039E-02 -0.79188E-04 682 0.165E-01 0.337E-02
DAV: 16 -0.891717694395E+02 -0.11255E-02 -0.13079E-04 696 0.607E-02 0.243E-02
DAV: 17 -0.891730267534E+02 -0.12573E-02 -0.19294E-04 614 0.642E-02 0.130E-02
DAV: 18 -0.891733753268E+02 -0.34857E-03 -0.50776E-05 688 0.340E-02 0.100E-02
DAV: 19 -0.891734885803E+02 -0.11325E-03 -0.11261E-05 464 0.246E-02 0.427E-03
DAV: 20 -0.891736019590E+02 -0.11338E-03 -0.33098E-05 497 0.296E-02 0.890E-03
DAV: 21 -0.891736188116E+02 -0.16853E-04 -0.43975E-06 488 0.171E-02 0.463E-03
DAV: 22 -0.891736262233E+02 -0.74117E-05 -0.84509E-06 437 0.166E-02
1 F= -.89173626E+02 E0= -.89177731E+02 d E =0.123132E-01