iterations/neb0_image05_iter99_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 0.373573124239E+03 0.37357E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.314971173836E+01 -0.37042E+03 -0.35811E+03 890 0.194E+02
DAV: 3 -0.942530619869E+02 -0.97403E+02 -0.97056E+02 634 0.116E+02
DAV: 4 -0.988110813767E+02 -0.45580E+01 -0.45468E+01 701 0.295E+01
DAV: 5 -0.989097094603E+02 -0.98628E-01 -0.98575E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905537386583E+02 0.83560E+01 -0.28617E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896644153603E+02 0.88932E+00 -0.18148E+00 728 0.672E+00 0.469E+00
DAV: 8 -0.892698874881E+02 0.39453E+00 -0.63278E-01 712 0.455E+00 0.154E+00
DAV: 9 -0.891874749265E+02 0.82413E-01 -0.12362E-01 728 0.168E+00 0.449E-01
DAV: 10 -0.891753147623E+02 0.12160E-01 -0.53516E-02 728 0.125E+00 0.352E-01
DAV: 11 -0.891768271578E+02 -0.15124E-02 -0.12816E-02 632 0.649E-01 0.123E-01
DAV: 12 -0.891784265233E+02 -0.15994E-02 -0.34528E-03 688 0.320E-01 0.129E-01
DAV: 13 -0.891844385436E+02 -0.60120E-02 -0.35466E-03 679 0.405E-01 0.786E-02
DAV: 14 -0.891869309949E+02 -0.24925E-02 -0.87800E-04 696 0.158E-01 0.591E-02
DAV: 15 -0.891899998224E+02 -0.30688E-02 -0.12417E-03 615 0.206E-01 0.401E-02
DAV: 16 -0.891909793367E+02 -0.97951E-03 -0.14864E-04 728 0.782E-02 0.266E-02
DAV: 17 -0.891921897713E+02 -0.12104E-02 -0.25706E-04 625 0.816E-02 0.119E-02
DAV: 18 -0.891925993084E+02 -0.40954E-03 -0.37287E-05 608 0.339E-02 0.813E-03
DAV: 19 -0.891927617819E+02 -0.16247E-03 -0.19992E-05 520 0.239E-02 0.359E-03
DAV: 20 -0.891928661202E+02 -0.10434E-03 -0.16061E-05 460 0.199E-02 0.509E-03
DAV: 21 -0.891928858500E+02 -0.19730E-04 -0.28521E-06 496 0.920E-03 0.364E-03
DAV: 22 -0.891928924312E+02 -0.65812E-05 -0.42389E-06 418 0.121E-02
1 F= -.89192892E+02 E0= -.89197081E+02 d E =0.125646E-01