iterations/neb0_image04_iter155_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 0.363977559224E+03 0.36398E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.995116695721E+00 -0.36298E+03 -0.35016E+03 874 0.193E+02
DAV: 3 -0.957958704632E+02 -0.96791E+02 -0.96464E+02 658 0.115E+02
DAV: 4 -0.100123400982E+03 -0.43275E+01 -0.43174E+01 712 0.281E+01
DAV: 5 -0.100205428332E+03 -0.82027E-01 -0.81995E-01 728 0.352E+00 0.223E+01
DAV: 6 -0.915415665539E+02 0.86639E+01 -0.30829E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906952536590E+02 0.84631E+00 -0.17958E+00 712 0.628E+00 0.482E+00
DAV: 8 -0.902948841772E+02 0.40037E+00 -0.54420E-01 704 0.417E+00 0.165E+00
DAV: 9 -0.901978366503E+02 0.97048E-01 -0.13491E-01 728 0.166E+00 0.432E-01
DAV: 10 -0.901890079636E+02 0.88287E-02 -0.45690E-02 712 0.111E+00 0.333E-01
DAV: 11 -0.901939328765E+02 -0.49249E-02 -0.99900E-03 688 0.667E-01 0.134E-01
DAV: 12 -0.901961829185E+02 -0.22500E-02 -0.37201E-03 642 0.288E-01 0.136E-01
DAV: 13 -0.901998950859E+02 -0.37122E-02 -0.29826E-03 648 0.372E-01 0.746E-02
DAV: 14 -0.902034640026E+02 -0.35689E-02 -0.99355E-04 644 0.155E-01 0.617E-02
DAV: 15 -0.902060572835E+02 -0.25933E-02 -0.69869E-04 669 0.161E-01 0.238E-02
DAV: 16 -0.902075062726E+02 -0.14490E-02 -0.14878E-04 669 0.675E-02 0.181E-02
DAV: 17 -0.902084004783E+02 -0.89421E-03 -0.13315E-04 660 0.542E-02 0.127E-02
DAV: 18 -0.902086772287E+02 -0.27675E-03 -0.40138E-05 592 0.362E-02 0.522E-03
DAV: 19 -0.902087926941E+02 -0.11547E-03 -0.10089E-05 468 0.162E-02 0.267E-03
DAV: 20 -0.902088711114E+02 -0.78417E-04 -0.92700E-06 434 0.117E-02 0.168E-03
DAV: 21 -0.902089010510E+02 -0.29940E-04 -0.33077E-06 488 0.627E-03 0.134E-03
DAV: 22 -0.902089091752E+02 -0.81242E-05 -0.15760E-06 452 0.678E-03
1 F= -.90208909E+02 E0= -.90218210E+02 d E =0.279019E-01