./iterations/neb0_image02_iter50_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 0.368311163055E+03 0.36831E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.465824310638E+01 -0.36365E+03 -0.34886E+03 834 0.195E+02
DAV: 3 -0.956665461971E+02 -0.10032E+03 -0.99990E+02 680 0.116E+02
DAV: 4 -0.100192995800E+03 -0.45264E+01 -0.45161E+01 696 0.283E+01
DAV: 5 -0.100280486963E+03 -0.87491E-01 -0.87450E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916413122841E+02 0.86392E+01 -0.31044E+01 704 0.300E+01 0.117E+01
DAV: 7 -0.908183249586E+02 0.82299E+00 -0.18438E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904302225293E+02 0.38810E+00 -0.55645E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.903380348917E+02 0.92188E-01 -0.14137E-01 704 0.168E+00 0.435E-01
DAV: 10 -0.903313023116E+02 0.67326E-02 -0.46204E-02 704 0.126E+00 0.319E-01
DAV: 11 -0.903350920152E+02 -0.37897E-02 -0.72925E-03 605 0.484E-01 0.143E-01
DAV: 12 -0.903384452101E+02 -0.33532E-02 -0.65940E-03 621 0.447E-01 0.127E-01
DAV: 13 -0.903412307166E+02 -0.27855E-02 -0.13069E-03 936 0.313E-01 0.769E-02
DAV: 14 -0.903443973081E+02 -0.31666E-02 -0.13358E-03 640 0.177E-01 0.551E-02
DAV: 15 -0.903467845802E+02 -0.23873E-02 -0.40306E-04 677 0.117E-01 0.399E-02
DAV: 16 -0.903481588974E+02 -0.13743E-02 -0.59732E-04 656 0.135E-01 0.335E-02
DAV: 17 -0.903490312586E+02 -0.87236E-03 -0.18399E-04 853 0.922E-02 0.176E-02
DAV: 18 -0.903491439080E+02 -0.11265E-03 -0.31296E-05 680 0.324E-02 0.103E-02
DAV: 19 -0.903494041804E+02 -0.26027E-03 -0.44490E-05 561 0.339E-02 0.459E-03
DAV: 20 -0.903494424595E+02 -0.38279E-04 -0.35565E-06 480 0.110E-02 0.454E-03
DAV: 21 -0.903494993368E+02 -0.56877E-04 -0.81315E-06 409 0.173E-02 0.228E-03
DAV: 22 -0.903495143708E+02 -0.15034E-04 -0.45323E-06 477 0.961E-03 0.289E-03
DAV: 23 -0.903495160384E+02 -0.16676E-05 -0.65711E-07 536 0.521E-03
1 F= -.90349516E+02 E0= -.90355284E+02 d E =0.173043E-01