iterations/neb0_image02_iter67_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 0.367958047766E+03 0.36796E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.464698488380E+01 -0.36331E+03 -0.34857E+03 834 0.195E+02
DAV: 3 -0.956729253402E+02 -0.10032E+03 -0.99985E+02 688 0.116E+02
DAV: 4 -0.100151308221E+03 -0.44784E+01 -0.44683E+01 696 0.279E+01
DAV: 5 -0.100238227648E+03 -0.86919E-01 -0.86877E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916471025198E+02 0.85911E+01 -0.30922E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908208834937E+02 0.82622E+00 -0.18144E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904328526155E+02 0.38803E+00 -0.56340E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903433714181E+02 0.89481E-01 -0.14020E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903368930797E+02 0.64783E-02 -0.45122E-02 728 0.126E+00 0.318E-01
DAV: 11 -0.903404673660E+02 -0.35743E-02 -0.69379E-03 608 0.468E-01 0.155E-01
DAV: 12 -0.903437706275E+02 -0.33033E-02 -0.68635E-03 624 0.471E-01 0.125E-01
DAV: 13 -0.903467898465E+02 -0.30192E-02 -0.11716E-03 832 0.305E-01 0.815E-02
DAV: 14 -0.903498027509E+02 -0.30129E-02 -0.16695E-03 637 0.192E-01 0.595E-02
DAV: 15 -0.903523675142E+02 -0.25648E-02 -0.56388E-04 749 0.159E-01 0.390E-02
DAV: 16 -0.903534217284E+02 -0.10542E-02 -0.40807E-04 672 0.105E-01 0.325E-02
DAV: 17 -0.903543674802E+02 -0.94575E-03 -0.15171E-04 692 0.751E-02 0.184E-02
DAV: 18 -0.903546190049E+02 -0.25152E-03 -0.69843E-05 688 0.436E-02 0.111E-02
DAV: 19 -0.903548068328E+02 -0.18783E-03 -0.17213E-05 452 0.218E-02 0.537E-03
DAV: 20 -0.903548880272E+02 -0.81194E-04 -0.15494E-05 477 0.180E-02 0.396E-03
DAV: 21 -0.903549192185E+02 -0.31191E-04 -0.39949E-06 461 0.125E-02 0.190E-03
DAV: 22 -0.903549295137E+02 -0.10295E-04 -0.23747E-06 456 0.706E-03 0.172E-03
DAV: 23 -0.903549314362E+02 -0.19225E-05 -0.11160E-06 488 0.755E-03
1 F= -.90354931E+02 E0= -.90361034E+02 d E =0.183089E-01