iterations/neb0_image05_iter156_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 0.363082275400E+03 0.36308E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.484833572970E+00 -0.36260E+03 -0.35050E+03 869 0.193E+02
DAV: 3 -0.954447664883E+02 -0.95930E+02 -0.95604E+02 672 0.115E+02
DAV: 4 -0.996819919209E+02 -0.42372E+01 -0.42277E+01 712 0.275E+01
DAV: 5 -0.997659512995E+02 -0.83959E-01 -0.83922E-01 728 0.346E+00 0.219E+01
DAV: 6 -0.913812006686E+02 0.83848E+01 -0.30468E+01 672 0.297E+01 0.115E+01
DAV: 7 -0.906090202046E+02 0.77218E+00 -0.17651E+00 728 0.629E+00 0.479E+00
DAV: 8 -0.902375913959E+02 0.37143E+00 -0.53982E-01 720 0.421E+00 0.168E+00
DAV: 9 -0.901477029980E+02 0.89888E-01 -0.12883E-01 720 0.161E+00 0.426E-01
DAV: 10 -0.901392274894E+02 0.84755E-02 -0.44456E-02 712 0.112E+00 0.313E-01
DAV: 11 -0.901432897000E+02 -0.40622E-02 -0.76485E-03 608 0.498E-01 0.124E-01
DAV: 12 -0.901460106511E+02 -0.27210E-02 -0.43481E-03 637 0.359E-01 0.122E-01
DAV: 13 -0.901482811677E+02 -0.22705E-02 -0.12574E-03 898 0.258E-01 0.647E-02
DAV: 14 -0.901518900884E+02 -0.36089E-02 -0.10691E-03 639 0.146E-01 0.437E-02
DAV: 15 -0.901538545709E+02 -0.19645E-02 -0.15752E-04 696 0.690E-02 0.318E-02
DAV: 16 -0.901558431381E+02 -0.19886E-02 -0.41221E-04 663 0.107E-01 0.241E-02
DAV: 17 -0.901564503652E+02 -0.60723E-03 -0.78334E-05 725 0.633E-02 0.201E-02
DAV: 18 -0.901567199664E+02 -0.26960E-03 -0.71511E-05 696 0.482E-02 0.142E-02
DAV: 19 -0.901568645557E+02 -0.14459E-03 -0.21062E-05 493 0.298E-02 0.509E-03
DAV: 20 -0.901569562181E+02 -0.91662E-04 -0.17687E-05 472 0.216E-02 0.321E-03
DAV: 21 -0.901569973008E+02 -0.41083E-04 -0.59262E-06 445 0.114E-02 0.271E-03
DAV: 22 -0.901570111799E+02 -0.13879E-04 -0.21883E-06 464 0.915E-03 0.119E-03
DAV: 23 -0.901570136195E+02 -0.24396E-05 -0.19454E-06 480 0.811E-03
1 F= -.90157014E+02 E0= -.90165328E+02 d E =0.249437E-01