iterations/neb0_image06_iter247_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 0.373543592270E+03 0.37354E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.454233408150E+01 -0.36900E+03 -0.35683E+03 863 0.194E+02
DAV: 3 -0.951824433093E+02 -0.99725E+02 -0.99352E+02 656 0.117E+02
DAV: 4 -0.100033542629E+03 -0.48511E+01 -0.48355E+01 728 0.292E+01
DAV: 5 -0.100135806292E+03 -0.10226E+00 -0.10221E+00 704 0.376E+00 0.225E+01
DAV: 6 -0.916043724144E+02 0.85314E+01 -0.30016E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.907696977927E+02 0.83467E+00 -0.17234E+00 720 0.632E+00 0.481E+00
DAV: 8 -0.903950738475E+02 0.37462E+00 -0.57408E-01 712 0.422E+00 0.166E+00
DAV: 9 -0.903078876365E+02 0.87186E-01 -0.12752E-01 720 0.161E+00 0.433E-01
DAV: 10 -0.902980450969E+02 0.98425E-02 -0.33398E-02 720 0.902E-01 0.284E-01
DAV: 11 -0.903020493305E+02 -0.40042E-02 -0.10176E-02 602 0.543E-01 0.160E-01
DAV: 12 -0.903040785802E+02 -0.20292E-02 -0.34006E-03 640 0.351E-01 0.877E-02
DAV: 13 -0.903081519931E+02 -0.40734E-02 -0.22670E-03 617 0.233E-01 0.812E-02
DAV: 14 -0.903107185439E+02 -0.25666E-02 -0.75122E-04 709 0.199E-01 0.298E-02
DAV: 15 -0.903134045012E+02 -0.26860E-02 -0.46584E-04 620 0.106E-01 0.383E-02
DAV: 16 -0.903149710500E+02 -0.15665E-02 -0.28753E-04 762 0.114E-01 0.193E-02
DAV: 17 -0.903158032057E+02 -0.83216E-03 -0.12755E-04 669 0.562E-02 0.155E-02
DAV: 18 -0.903160223561E+02 -0.21915E-03 -0.24502E-05 557 0.242E-02 0.975E-03
DAV: 19 -0.903161884568E+02 -0.16610E-03 -0.30568E-05 519 0.289E-02 0.303E-03
DAV: 20 -0.903162172329E+02 -0.28776E-04 -0.34365E-06 488 0.104E-02 0.246E-03
DAV: 21 -0.903162370313E+02 -0.19798E-04 -0.27402E-06 398 0.774E-03 0.714E-04
DAV: 22 -0.903162419980E+02 -0.49667E-05 -0.83689E-07 461 0.341E-03
1 F= -.90316242E+02 E0= -.90320677E+02 d E =0.133046E-01