./iterations/neb0_image01_iter231_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 0.365120986093E+03 0.36512E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.318855785641E+01 -0.36193E+03 -0.34882E+03 839 0.196E+02
DAV: 3 -0.954989893205E+02 -0.98688E+02 -0.98343E+02 653 0.116E+02
DAV: 4 -0.100201089090E+03 -0.47021E+01 -0.46898E+01 704 0.293E+01
DAV: 5 -0.100294201979E+03 -0.93113E-01 -0.93063E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.916859332980E+02 0.86083E+01 -0.30943E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908878589348E+02 0.79807E+00 -0.18278E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905125945736E+02 0.37526E+00 -0.55173E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904296718582E+02 0.82923E-01 -0.13160E-01 720 0.166E+00 0.422E-01
DAV: 10 -0.904251695979E+02 0.45023E-02 -0.47483E-02 712 0.123E+00 0.324E-01
DAV: 11 -0.904293236504E+02 -0.41541E-02 -0.79645E-03 608 0.587E-01 0.118E-01
DAV: 12 -0.904326818636E+02 -0.33582E-02 -0.65441E-03 637 0.438E-01 0.134E-01
DAV: 13 -0.904351242452E+02 -0.24424E-02 -0.16271E-03 845 0.311E-01 0.769E-02
DAV: 14 -0.904383416478E+02 -0.32174E-02 -0.15514E-03 650 0.201E-01 0.729E-02
DAV: 15 -0.904399432351E+02 -0.16016E-02 -0.29189E-04 680 0.113E-01 0.575E-02
DAV: 16 -0.904412998455E+02 -0.13566E-02 -0.11346E-03 669 0.207E-01 0.383E-02
DAV: 17 -0.904421202546E+02 -0.82041E-03 -0.14496E-04 669 0.843E-02 0.324E-02
DAV: 18 -0.904424443262E+02 -0.32407E-03 -0.84916E-05 680 0.459E-02 0.172E-02
DAV: 19 -0.904426391745E+02 -0.19485E-03 -0.85101E-05 645 0.499E-02 0.921E-03
DAV: 20 -0.904426624559E+02 -0.23281E-04 -0.74868E-06 536 0.187E-02 0.769E-03
DAV: 21 -0.904427063254E+02 -0.43869E-04 -0.78336E-06 412 0.147E-02 0.593E-03
DAV: 22 -0.904427191183E+02 -0.12793E-04 -0.31096E-06 477 0.128E-02 0.348E-03
DAV: 23 -0.904427238593E+02 -0.47410E-05 -0.69642E-06 464 0.155E-02
1 F= -.90442724E+02 E0= -.90449138E+02 d E =0.192434E-01