iterations/neb0_image05_iter96_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 0.373555449461E+03 0.37356E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.312422517817E+01 -0.37043E+03 -0.35813E+03 890 0.195E+02
DAV: 3 -0.942508216235E+02 -0.97375E+02 -0.97029E+02 634 0.116E+02
DAV: 4 -0.988028561494E+02 -0.45520E+01 -0.45408E+01 701 0.295E+01
DAV: 5 -0.989014297228E+02 -0.98574E-01 -0.98521E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905468950412E+02 0.83545E+01 -0.28605E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896561023262E+02 0.89079E+00 -0.18096E+00 728 0.672E+00 0.469E+00
DAV: 8 -0.892613166147E+02 0.39479E+00 -0.63391E-01 712 0.455E+00 0.154E+00
DAV: 9 -0.891789425390E+02 0.82374E-01 -0.12308E-01 728 0.168E+00 0.449E-01
DAV: 10 -0.891666686239E+02 0.12274E-01 -0.53708E-02 728 0.125E+00 0.353E-01
DAV: 11 -0.891681689987E+02 -0.15004E-02 -0.12808E-02 632 0.649E-01 0.123E-01
DAV: 12 -0.891698263925E+02 -0.16574E-02 -0.34392E-03 688 0.319E-01 0.129E-01
DAV: 13 -0.891758998389E+02 -0.60734E-02 -0.35656E-03 679 0.407E-01 0.785E-02
DAV: 14 -0.891783440680E+02 -0.24442E-02 -0.87222E-04 696 0.158E-01 0.597E-02
DAV: 15 -0.891813975178E+02 -0.30534E-02 -0.12303E-03 615 0.205E-01 0.396E-02
DAV: 16 -0.891823906942E+02 -0.99318E-03 -0.14864E-04 712 0.774E-02 0.265E-02
DAV: 17 -0.891836279905E+02 -0.12373E-02 -0.26516E-04 617 0.820E-02 0.125E-02
DAV: 18 -0.891839945548E+02 -0.36656E-03 -0.33606E-05 608 0.323E-02 0.872E-03
DAV: 19 -0.891841624629E+02 -0.16791E-03 -0.22611E-05 512 0.257E-02 0.375E-03
DAV: 20 -0.891842618718E+02 -0.99409E-04 -0.14010E-05 468 0.203E-02 0.514E-03
DAV: 21 -0.891842889941E+02 -0.27122E-04 -0.38268E-06 472 0.965E-03 0.354E-03
DAV: 22 -0.891842956673E+02 -0.66733E-05 -0.42340E-06 448 0.120E-02
1 F= -.89184296E+02 E0= -.89188521E+02 d E =0.126769E-01