./iterations/neb0_image05_iter25_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 0.364188280464E+03 0.36419E+03 -0.14271E+04 632 0.799E+02
DAV: 2 0.506394431956E+01 -0.35912E+03 -0.34705E+03 861 0.193E+02
DAV: 3 -0.927410385667E+02 -0.97805E+02 -0.97335E+02 664 0.115E+02
DAV: 4 -0.974233949888E+02 -0.46824E+01 -0.46667E+01 712 0.288E+01
DAV: 5 -0.975228281636E+02 -0.99433E-01 -0.99383E-01 712 0.373E+00 0.214E+01
DAV: 6 -0.892731486664E+02 0.82497E+01 -0.30473E+01 696 0.298E+01 0.110E+01
DAV: 7 -0.885424683959E+02 0.73068E+00 -0.15879E+00 704 0.664E+00 0.470E+00
DAV: 8 -0.881872480683E+02 0.35522E+00 -0.62220E-01 704 0.438E+00 0.166E+00
DAV: 9 -0.881042434673E+02 0.83005E-01 -0.13155E-01 728 0.174E+00 0.458E-01
DAV: 10 -0.880954097988E+02 0.88337E-02 -0.22492E-02 741 0.778E-01 0.288E-01
DAV: 11 -0.880980740504E+02 -0.26643E-02 -0.13227E-02 637 0.753E-01 0.160E-01
DAV: 12 -0.880996145459E+02 -0.15405E-02 -0.24100E-03 671 0.354E-01 0.113E-01
DAV: 13 -0.881040935008E+02 -0.44790E-02 -0.49533E-03 612 0.429E-01 0.110E-01
DAV: 14 -0.881064945213E+02 -0.24010E-02 -0.12853E-03 925 0.280E-01 0.486E-02
DAV: 15 -0.881087136123E+02 -0.22191E-02 -0.11142E-03 661 0.205E-01 0.552E-02
DAV: 16 -0.881102245482E+02 -0.15109E-02 -0.31372E-04 797 0.133E-01 0.284E-02
DAV: 17 -0.881110055405E+02 -0.78099E-03 -0.25595E-04 695 0.951E-02 0.159E-02
DAV: 18 -0.881117713158E+02 -0.76578E-03 -0.83760E-05 647 0.482E-02 0.111E-02
DAV: 19 -0.881119984445E+02 -0.22713E-03 -0.25393E-05 557 0.266E-02 0.548E-03
DAV: 20 -0.881121311116E+02 -0.13267E-03 -0.15816E-05 452 0.186E-02 0.207E-03
DAV: 21 -0.881121701474E+02 -0.39036E-04 -0.43454E-06 501 0.787E-03 0.184E-03
DAV: 22 -0.881121903515E+02 -0.20204E-04 -0.33675E-06 418 0.775E-03 0.893E-04
DAV: 23 -0.881121932395E+02 -0.28880E-05 -0.86705E-07 498 0.374E-03
1 F= -.88112193E+02 E0= -.88116076E+02 d E =0.116476E-01