./iterations/neb0_image08_iter80_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 0.376302085065E+03 0.37630E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.378345414953E+01 -0.37252E+03 -0.35908E+03 869 0.196E+02
DAV: 3 -0.968383148294E+02 -0.10062E+03 -0.10029E+03 696 0.117E+02
DAV: 4 -0.101140557500E+03 -0.43022E+01 -0.42925E+01 688 0.272E+01
DAV: 5 -0.101225038285E+03 -0.84481E-01 -0.84444E-01 728 0.341E+00 0.227E+01
DAV: 6 -0.925859176691E+02 0.86391E+01 -0.30815E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917131171595E+02 0.87280E+00 -0.16907E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913324020003E+02 0.38072E+00 -0.55774E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912489562150E+02 0.83446E-01 -0.13031E-01 704 0.155E+00 0.427E-01
DAV: 10 -0.912395141340E+02 0.94421E-02 -0.47573E-02 720 0.113E+00 0.309E-01
DAV: 11 -0.912442711496E+02 -0.47570E-02 -0.14363E-02 624 0.619E-01 0.159E-01
DAV: 12 -0.912472019746E+02 -0.29308E-02 -0.32840E-03 618 0.254E-01 0.130E-01
DAV: 13 -0.912509192457E+02 -0.37173E-02 -0.19296E-03 749 0.254E-01 0.452E-02
DAV: 14 -0.912541238448E+02 -0.32046E-02 -0.55963E-04 648 0.117E-01 0.419E-02
DAV: 15 -0.912561971877E+02 -0.20733E-02 -0.18037E-04 661 0.666E-02 0.381E-02
DAV: 16 -0.912573081026E+02 -0.11109E-02 -0.39891E-04 653 0.100E-01 0.236E-02
DAV: 17 -0.912575948961E+02 -0.28679E-03 -0.80552E-05 752 0.636E-02 0.131E-02
DAV: 18 -0.912578280644E+02 -0.23317E-03 -0.41557E-05 629 0.276E-02 0.115E-02
DAV: 19 -0.912578759083E+02 -0.47844E-04 -0.88895E-06 488 0.211E-02 0.484E-03
DAV: 20 -0.912579089862E+02 -0.33078E-04 -0.10636E-05 410 0.195E-02 0.347E-03
DAV: 21 -0.912579315107E+02 -0.22524E-04 -0.29537E-06 469 0.782E-03 0.312E-03
DAV: 22 -0.912579392205E+02 -0.77098E-05 -0.16263E-06 410 0.857E-03
1 F= -.91257939E+02 E0= -.91263038E+02 d E =0.152964E-01