iterations/neb0_image04_iter152_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 0.364234294575E+03 0.36423E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.119796298184E+01 -0.36304E+03 -0.35016E+03 874 0.194E+02
DAV: 3 -0.957480428575E+02 -0.96946E+02 -0.96622E+02 658 0.115E+02
DAV: 4 -0.100112047113E+03 -0.43640E+01 -0.43531E+01 720 0.282E+01
DAV: 5 -0.100195009684E+03 -0.82963E-01 -0.82930E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.915428516155E+02 0.86522E+01 -0.30711E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.906933152574E+02 0.84954E+00 -0.18058E+00 712 0.631E+00 0.482E+00
DAV: 8 -0.902913432514E+02 0.40197E+00 -0.55327E-01 712 0.420E+00 0.165E+00
DAV: 9 -0.901950515515E+02 0.96292E-01 -0.13452E-01 728 0.173E+00 0.436E-01
DAV: 10 -0.901861645666E+02 0.88870E-02 -0.39995E-02 712 0.100E+00 0.328E-01
DAV: 11 -0.901922179405E+02 -0.60534E-02 -0.16662E-02 672 0.845E-01 0.236E-01
DAV: 12 -0.901922457044E+02 -0.27764E-04 -0.35917E-03 696 0.414E-01 0.155E-01
DAV: 13 -0.901954240277E+02 -0.31783E-02 -0.51831E-03 637 0.411E-01 0.910E-02
DAV: 14 -0.901993268265E+02 -0.39028E-02 -0.99999E-04 639 0.159E-01 0.695E-02
DAV: 15 -0.902020783193E+02 -0.27515E-02 -0.66664E-04 728 0.153E-01 0.329E-02
DAV: 16 -0.902038538509E+02 -0.17755E-02 -0.41045E-04 669 0.114E-01 0.307E-02
DAV: 17 -0.902049393376E+02 -0.10855E-02 -0.12756E-04 666 0.641E-02 0.181E-02
DAV: 18 -0.902054635597E+02 -0.52422E-03 -0.89742E-05 658 0.516E-02 0.703E-03
DAV: 19 -0.902057216691E+02 -0.25811E-03 -0.29808E-05 591 0.226E-02 0.774E-03
DAV: 20 -0.902058228442E+02 -0.10118E-03 -0.79463E-06 472 0.167E-02 0.540E-03
DAV: 21 -0.902058773499E+02 -0.54506E-04 -0.14158E-05 482 0.185E-02 0.420E-03
DAV: 22 -0.902058839451E+02 -0.65952E-05 -0.27933E-06 528 0.121E-02
1 F= -.90205884E+02 E0= -.90215323E+02 d E =0.283178E-01