iterations/neb0_image06_iter41_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 0.377174029057E+03 0.37717E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.472590585787E+01 -0.37245E+03 -0.35921E+03 858 0.196E+02
DAV: 3 -0.956422937980E+02 -0.10037E+03 -0.10003E+03 656 0.117E+02
DAV: 4 -0.100065987396E+03 -0.44237E+01 -0.44120E+01 728 0.290E+01
DAV: 5 -0.100151093376E+03 -0.85106E-01 -0.85080E-01 728 0.362E+00 0.229E+01
DAV: 6 -0.913667632803E+02 0.87843E+01 -0.30669E+01 671 0.306E+01 0.119E+01
DAV: 7 -0.904744405407E+02 0.89232E+00 -0.17395E+00 728 0.636E+00 0.482E+00
DAV: 8 -0.900863354888E+02 0.38811E+00 -0.54066E-01 696 0.410E+00 0.167E+00
DAV: 9 -0.899952669808E+02 0.91069E-01 -0.12833E-01 720 0.184E+00 0.463E-01
DAV: 10 -0.899858454714E+02 0.94215E-02 -0.29656E-02 776 0.862E-01 0.312E-01
DAV: 11 -0.899895174205E+02 -0.36719E-02 -0.20722E-02 672 0.109E+00 0.246E-01
DAV: 12 -0.899894436264E+02 0.73794E-04 -0.59509E-03 704 0.552E-01 0.154E-01
DAV: 13 -0.899934085802E+02 -0.39650E-02 -0.56878E-03 600 0.415E-01 0.134E-01
DAV: 14 -0.899969166206E+02 -0.35080E-02 -0.27452E-03 682 0.276E-01 0.106E-01
DAV: 15 -0.899993048363E+02 -0.23882E-02 -0.13998E-03 888 0.301E-01 0.327E-02
DAV: 16 -0.900014282095E+02 -0.21234E-02 -0.45696E-04 661 0.109E-01 0.310E-02
DAV: 17 -0.900025533004E+02 -0.11251E-02 -0.13031E-04 704 0.571E-02 0.187E-02
DAV: 18 -0.900033595020E+02 -0.80620E-03 -0.11147E-04 655 0.501E-02 0.802E-03
DAV: 19 -0.900034900767E+02 -0.13057E-03 -0.74235E-06 520 0.170E-02 0.611E-03
DAV: 20 -0.900036096193E+02 -0.11954E-03 -0.23498E-05 480 0.291E-02 0.509E-03
DAV: 21 -0.900036351965E+02 -0.25577E-04 -0.30335E-06 504 0.131E-02 0.348E-03
DAV: 22 -0.900036531181E+02 -0.17922E-04 -0.46459E-06 417 0.127E-02 0.149E-03
DAV: 23 -0.900036655030E+02 -0.12385E-04 -0.14169E-06 450 0.572E-03 0.102E-03
DAV: 24 -0.900036690202E+02 -0.35172E-05 -0.53038E-07 452 0.331E-03
1 F= -.90003669E+02 E0= -.90014102E+02 d E =0.312979E-01