iterations/neb0_image01_iter280_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 0.362322374636E+03 0.36232E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.294620260422E+01 -0.35938E+03 -0.34714E+03 828 0.195E+02
DAV: 3 -0.956279819176E+02 -0.98574E+02 -0.98233E+02 669 0.115E+02
DAV: 4 -0.100192612532E+03 -0.45646E+01 -0.45521E+01 696 0.283E+01
DAV: 5 -0.100280864766E+03 -0.88252E-01 -0.88209E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.916890184599E+02 0.85918E+01 -0.30974E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908922875421E+02 0.79673E+00 -0.18461E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905151833924E+02 0.37710E+00 -0.55061E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904292504367E+02 0.85933E-01 -0.13678E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904240136530E+02 0.52368E-02 -0.44777E-02 709 0.124E+00 0.314E-01
DAV: 11 -0.904277312257E+02 -0.37176E-02 -0.63769E-03 608 0.475E-01 0.144E-01
DAV: 12 -0.904312449650E+02 -0.35137E-02 -0.70606E-03 623 0.497E-01 0.128E-01
DAV: 13 -0.904339400211E+02 -0.26951E-02 -0.14636E-03 848 0.304E-01 0.759E-02
DAV: 14 -0.904369991141E+02 -0.30591E-02 -0.13733E-03 639 0.175E-01 0.575E-02
DAV: 15 -0.904390856642E+02 -0.20866E-02 -0.39528E-04 680 0.118E-01 0.451E-02
DAV: 16 -0.904405046538E+02 -0.14190E-02 -0.75948E-04 666 0.162E-01 0.346E-02
DAV: 17 -0.904412647064E+02 -0.76005E-03 -0.15059E-04 728 0.890E-02 0.225E-02
DAV: 18 -0.904414428320E+02 -0.17813E-03 -0.65969E-05 688 0.400E-02 0.110E-02
DAV: 19 -0.904416613972E+02 -0.21857E-03 -0.43280E-05 572 0.320E-02 0.480E-03
DAV: 20 -0.904416880915E+02 -0.26694E-04 -0.46068E-06 488 0.165E-02 0.524E-03
DAV: 21 -0.904417208876E+02 -0.32796E-04 -0.69284E-06 434 0.154E-02 0.543E-03
DAV: 22 -0.904417418126E+02 -0.20925E-04 -0.33631E-06 471 0.115E-02 0.337E-03
DAV: 23 -0.904417445241E+02 -0.27115E-05 -0.49219E-06 520 0.128E-02
1 F= -.90441745E+02 E0= -.90447102E+02 d E =0.160713E-01