iterations/neb0_image07_iter184_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 0.371562784394E+03 0.37156E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.330989627945E+01 -0.36825E+03 -0.35564E+03 869 0.194E+02
DAV: 3 -0.964798297229E+02 -0.99790E+02 -0.99469E+02 680 0.116E+02
DAV: 4 -0.101084196477E+03 -0.46044E+01 -0.45924E+01 696 0.283E+01
DAV: 5 -0.101178593994E+03 -0.94398E-01 -0.94334E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925764976815E+02 0.86021E+01 -0.30522E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917193693313E+02 0.85713E+00 -0.17316E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.913477893706E+02 0.37158E+00 -0.52819E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912663901253E+02 0.81399E-01 -0.13137E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912579548933E+02 0.84352E-02 -0.41962E-02 741 0.108E+00 0.294E-01
DAV: 11 -0.912622282437E+02 -0.42734E-02 -0.11954E-02 616 0.577E-01 0.140E-01
DAV: 12 -0.912650093955E+02 -0.27812E-02 -0.24548E-03 626 0.257E-01 0.922E-02
DAV: 13 -0.912689641181E+02 -0.39547E-02 -0.16018E-03 639 0.203E-01 0.519E-02
DAV: 14 -0.912715792579E+02 -0.26151E-02 -0.52751E-04 776 0.180E-01 0.347E-02
DAV: 15 -0.912736017594E+02 -0.20225E-02 -0.38551E-04 655 0.101E-01 0.319E-02
DAV: 16 -0.912745831177E+02 -0.98136E-03 -0.12765E-04 717 0.665E-02 0.131E-02
DAV: 17 -0.912754288803E+02 -0.84576E-03 -0.12354E-04 730 0.549E-02 0.143E-02
DAV: 18 -0.912756396427E+02 -0.21076E-03 -0.28060E-05 624 0.385E-02 0.671E-03
DAV: 19 -0.912757332858E+02 -0.93643E-04 -0.20130E-05 498 0.249E-02 0.749E-03
DAV: 20 -0.912757770902E+02 -0.43804E-04 -0.65205E-06 488 0.168E-02 0.383E-03
DAV: 21 -0.912757939159E+02 -0.16826E-04 -0.59763E-06 448 0.149E-02 0.185E-03
DAV: 22 -0.912758074606E+02 -0.13545E-04 -0.17713E-06 406 0.829E-03 0.979E-04
DAV: 23 -0.912758125780E+02 -0.51174E-05 -0.10427E-06 447 0.407E-03
1 F= -.91275813E+02 E0= -.91281340E+02 d E =0.165809E-01