iterations/neb0_image09_iter3_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 0.370773351472E+03 0.37077E+03 -0.14264E+04 624 0.799E+02
DAV: 2 0.211710162027E+01 -0.36866E+03 -0.35609E+03 877 0.195E+02
DAV: 3 -0.964159249274E+02 -0.98533E+02 -0.98197E+02 664 0.116E+02
DAV: 4 -0.100920602601E+03 -0.45047E+01 -0.44929E+01 720 0.284E+01
DAV: 5 -0.101011393988E+03 -0.90791E-01 -0.90739E-01 736 0.363E+00 0.224E+01
DAV: 6 -0.924434553659E+02 0.85679E+01 -0.30830E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.915941359658E+02 0.84932E+00 -0.16507E+00 728 0.625E+00 0.479E+00
DAV: 8 -0.912154368230E+02 0.37870E+00 -0.57900E-01 712 0.404E+00 0.163E+00
DAV: 9 -0.911326242769E+02 0.82813E-01 -0.13018E-01 704 0.162E+00 0.439E-01
DAV: 10 -0.911232317283E+02 0.93925E-02 -0.29574E-02 752 0.855E-01 0.269E-01
DAV: 11 -0.911273036428E+02 -0.40719E-02 -0.11262E-02 616 0.581E-01 0.165E-01
DAV: 12 -0.911295184008E+02 -0.22148E-02 -0.37830E-03 664 0.396E-01 0.889E-02
DAV: 13 -0.911336454604E+02 -0.41271E-02 -0.30599E-03 636 0.281E-01 0.885E-02
DAV: 14 -0.911352838034E+02 -0.16383E-02 -0.63226E-04 888 0.205E-01 0.376E-02
DAV: 15 -0.911381960620E+02 -0.29123E-02 -0.72583E-04 637 0.143E-01 0.400E-02
DAV: 16 -0.911398567838E+02 -0.16607E-02 -0.16089E-04 688 0.835E-02 0.223E-02
DAV: 17 -0.911408859917E+02 -0.10292E-02 -0.28847E-04 685 0.933E-02 0.213E-02
DAV: 18 -0.911412390986E+02 -0.35311E-03 -0.68794E-05 717 0.624E-02 0.714E-03
DAV: 19 -0.911413033375E+02 -0.64239E-04 -0.19108E-05 536 0.222E-02 0.350E-03
DAV: 20 -0.911413623233E+02 -0.58986E-04 -0.56435E-06 409 0.118E-02 0.179E-03
DAV: 21 -0.911413878576E+02 -0.25534E-04 -0.32100E-06 464 0.936E-03 0.164E-03
DAV: 22 -0.911413936264E+02 -0.57688E-05 -0.10124E-06 514 0.609E-03
1 F= -.91141394E+02 E0= -.91146244E+02 d E =0.145522E-01