./iterations/neb0_image04_iter56_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 0.371133188679E+03 0.37113E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.447819761169E+01 -0.36665E+03 -0.35399E+03 861 0.195E+02
DAV: 3 -0.951608601058E+02 -0.99639E+02 -0.99311E+02 677 0.116E+02
DAV: 4 -0.996510014385E+02 -0.44901E+01 -0.44802E+01 704 0.281E+01
DAV: 5 -0.997388672638E+02 -0.87866E-01 -0.87818E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.912407659370E+02 0.84981E+01 -0.30084E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.904022730627E+02 0.83849E+00 -0.17785E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900085371035E+02 0.39374E+00 -0.55635E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.899133053452E+02 0.95232E-01 -0.13921E-01 712 0.176E+00 0.442E-01
DAV: 10 -0.899037347908E+02 0.95706E-02 -0.48351E-02 720 0.124E+00 0.329E-01
DAV: 11 -0.899075216515E+02 -0.37869E-02 -0.11555E-02 629 0.593E-01 0.134E-01
DAV: 12 -0.899095263672E+02 -0.20047E-02 -0.31994E-03 655 0.274E-01 0.115E-01
DAV: 13 -0.899139535302E+02 -0.44272E-02 -0.23689E-03 853 0.378E-01 0.650E-02
DAV: 14 -0.899168115084E+02 -0.28580E-02 -0.91141E-04 661 0.151E-01 0.506E-02
DAV: 15 -0.899189977659E+02 -0.21863E-02 -0.44110E-04 800 0.132E-01 0.238E-02
DAV: 16 -0.899206059652E+02 -0.16082E-02 -0.22621E-04 666 0.736E-02 0.261E-02
DAV: 17 -0.899212847859E+02 -0.67882E-03 -0.59021E-05 664 0.450E-02 0.159E-02
DAV: 18 -0.899217731932E+02 -0.48841E-03 -0.13704E-04 636 0.637E-02 0.136E-02
DAV: 19 -0.899218002290E+02 -0.27036E-04 -0.10074E-05 520 0.292E-02 0.720E-03
DAV: 20 -0.899219077138E+02 -0.10748E-03 -0.47019E-05 611 0.388E-02 0.900E-03
DAV: 21 -0.899219322857E+02 -0.24572E-04 -0.59486E-06 477 0.220E-02 0.404E-03
DAV: 22 -0.899219448600E+02 -0.12574E-04 -0.93234E-06 453 0.171E-02 0.261E-03
DAV: 23 -0.899219544231E+02 -0.95631E-05 -0.21570E-06 439 0.750E-03
1 F= -.89921954E+02 E0= -.89927709E+02 d E =0.172625E-01