./iterations/neb0_image09_iter91_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 0.374429237772E+03 0.37443E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.248062228319E+01 -0.37195E+03 -0.35960E+03 877 0.196E+02
DAV: 3 -0.967404485038E+02 -0.99221E+02 -0.98882E+02 664 0.117E+02
DAV: 4 -0.101224524741E+03 -0.44841E+01 -0.44748E+01 696 0.285E+01
DAV: 5 -0.101313571160E+03 -0.89046E-01 -0.89007E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926680741255E+02 0.86455E+01 -0.30851E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918012347104E+02 0.86684E+00 -0.17098E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914240533657E+02 0.37718E+00 -0.54646E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913420227928E+02 0.82031E-01 -0.13040E-01 701 0.155E+00 0.424E-01
DAV: 10 -0.913331459862E+02 0.88768E-02 -0.45755E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913376214725E+02 -0.44755E-02 -0.12812E-02 613 0.590E-01 0.142E-01
DAV: 12 -0.913406227181E+02 -0.30012E-02 -0.29934E-03 620 0.245E-01 0.116E-01
DAV: 13 -0.913444367284E+02 -0.38140E-02 -0.16462E-03 728 0.224E-01 0.442E-02
DAV: 14 -0.913477160170E+02 -0.32793E-02 -0.56134E-04 661 0.131E-01 0.335E-02
DAV: 15 -0.913492801067E+02 -0.15641E-02 -0.15462E-04 672 0.731E-02 0.351E-02
DAV: 16 -0.913505946169E+02 -0.13145E-02 -0.36163E-04 650 0.978E-02 0.206E-02
DAV: 17 -0.913508423659E+02 -0.24775E-03 -0.50547E-05 688 0.537E-02 0.124E-02
DAV: 18 -0.913510899378E+02 -0.24757E-03 -0.48623E-05 556 0.343E-02 0.113E-02
DAV: 19 -0.913511818468E+02 -0.91909E-04 -0.94723E-06 480 0.193E-02 0.591E-03
DAV: 20 -0.913512162392E+02 -0.34392E-04 -0.13836E-05 448 0.230E-02 0.258E-03
DAV: 21 -0.913512403024E+02 -0.24063E-04 -0.40465E-06 423 0.971E-03 0.266E-03
DAV: 22 -0.913512440821E+02 -0.37798E-05 -0.76949E-07 504 0.426E-03
1 F= -.91351244E+02 E0= -.91356063E+02 d E =0.144581E-01