iterations/neb0_image07_iter223_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 0.371378288977E+03 0.37138E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.377275473678E+01 -0.36761E+03 -0.35562E+03 869 0.194E+02
DAV: 3 -0.965600275458E+02 -0.10033E+03 -0.10003E+03 688 0.116E+02
DAV: 4 -0.101107568123E+03 -0.45475E+01 -0.45357E+01 704 0.281E+01
DAV: 5 -0.101198286769E+03 -0.90719E-01 -0.90665E-01 736 0.357E+00 0.227E+01
DAV: 6 -0.925845274801E+02 0.86138E+01 -0.30671E+01 725 0.299E+01 0.119E+01
DAV: 7 -0.917326612336E+02 0.85187E+00 -0.17448E+00 720 0.620E+00 0.480E+00
DAV: 8 -0.913596561823E+02 0.37301E+00 -0.54477E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912787673531E+02 0.80889E-01 -0.13100E-01 728 0.157E+00 0.420E-01
DAV: 10 -0.912701297575E+02 0.86376E-02 -0.39871E-02 760 0.103E+00 0.285E-01
DAV: 11 -0.912743863384E+02 -0.42566E-02 -0.10796E-02 616 0.544E-01 0.137E-01
DAV: 12 -0.912773965122E+02 -0.30102E-02 -0.24976E-03 624 0.265E-01 0.870E-02
DAV: 13 -0.912812129720E+02 -0.38165E-02 -0.13815E-03 645 0.176E-01 0.560E-02
DAV: 14 -0.912844008404E+02 -0.31879E-02 -0.96458E-04 813 0.239E-01 0.483E-02
DAV: 15 -0.912857774413E+02 -0.13766E-02 -0.37117E-04 672 0.116E-01 0.371E-02
DAV: 16 -0.912868548870E+02 -0.10774E-02 -0.20053E-04 752 0.770E-02 0.152E-02
DAV: 17 -0.912876875572E+02 -0.83267E-03 -0.11686E-04 712 0.540E-02 0.127E-02
DAV: 18 -0.912879743590E+02 -0.28680E-03 -0.24848E-05 552 0.276E-02 0.639E-03
DAV: 19 -0.912880913284E+02 -0.11697E-03 -0.24699E-05 544 0.248E-02 0.451E-03
DAV: 20 -0.912881072947E+02 -0.15966E-04 -0.19426E-06 512 0.113E-02 0.230E-03
DAV: 21 -0.912881266292E+02 -0.19334E-04 -0.39570E-06 415 0.116E-02 0.152E-03
DAV: 22 -0.912881337564E+02 -0.71272E-05 -0.98249E-07 456 0.541E-03
1 F= -.91288134E+02 E0= -.91293314E+02 d E =0.155403E-01