./neb0_image06_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.788793850223E+03 0.78879E+03 -0.25942E+04 912 0.101E+03
DAV: 2 0.100435057722E+03 -0.68836E+03 -0.67195E+03 1096 0.280E+02
DAV: 3 -0.622469054127E+02 -0.16268E+03 -0.16224E+03 867 0.154E+02
DAV: 4 -0.665244403400E+02 -0.42775E+01 -0.42508E+01 808 0.286E+01
DAV: 5 -0.666079533223E+02 -0.83513E-01 -0.83420E-01 870 0.352E+00 0.202E+01
DAV: 6 -0.630362530481E+02 0.35717E+01 -0.65106E+01 785 0.315E+01 0.214E+01
DAV: 7 -0.617695748756E+02 0.12667E+01 -0.75235E+01 872 0.126E+01 0.104E+01
DAV: 8 -0.604980068287E+02 0.12716E+01 -0.10666E+00 822 0.792E+00 0.658E+00
DAV: 9 -0.609972592759E+02 -0.49925E+00 -0.18110E+01 859 0.815E+00 0.158E+01
DAV: 10 -0.598693903515E+02 0.11279E+01 -0.43550E-01 862 0.233E+00 0.135E+01
DAV: 11 -0.600595742304E+02 -0.19018E+00 -0.13976E+01 864 0.424E+00 0.549E+00
DAV: 12 -0.600789032156E+02 -0.19329E-01 -0.75743E-02 836 0.170E+00 0.604E+00
DAV: 13 -0.599460288689E+02 0.13287E+00 -0.26302E-01 928 0.815E-01 0.442E+00
DAV: 14 -0.598991862541E+02 0.46843E-01 -0.44322E-03 920 0.501E-01 0.446E+00
DAV: 15 -0.597022000479E+02 0.19699E+00 -0.48328E-01 952 0.168E+00 0.294E+00
DAV: 16 -0.597111702165E+02 -0.89702E-02 -0.55321E-02 834 0.609E-01 0.729E-01
DAV: 17 -0.597188568243E+02 -0.76866E-02 -0.28486E-03 928 0.196E-01 0.745E-01
DAV: 18 -0.597252110065E+02 -0.63542E-02 -0.46032E-03 918 0.185E-01 0.158E+00
DAV: 19 -0.597245406710E+02 0.67034E-03 -0.43196E-02 918 0.299E-01 0.143E+00
DAV: 20 -0.597300998785E+02 -0.55592E-02 -0.25452E-03 876 0.237E-01 0.174E+00
DAV: 21 -0.597321655072E+02 -0.20656E-02 -0.61412E-02 947 0.346E-01 0.254E+00
DAV: 22 -0.597228478197E+02 0.93177E-02 -0.29282E-02 854 0.321E-01 0.352E-01
DAV: 23 -0.597325579324E+02 -0.97101E-02 -0.74564E-03 867 0.148E-01 0.112E+00
DAV: 24 -0.597284916855E+02 0.40662E-02 -0.24159E-03 864 0.878E-02 0.266E-01
DAV: 25 -0.597308691222E+02 -0.23774E-02 -0.74864E-05 795 0.539E-02 0.259E-01
DAV: 26 -0.597316012940E+02 -0.73217E-03 -0.79169E-05 726 0.275E-02 0.116E-01
DAV: 27 -0.597319298909E+02 -0.32860E-03 -0.22078E-04 664 0.263E-02 0.139E-01
DAV: 28 -0.597319794156E+02 -0.49525E-04 -0.58857E-05 563 0.271E-02 0.197E-02
DAV: 29 -0.597320245715E+02 -0.45156E-04 -0.24364E-06 593 0.688E-03 0.295E-02
DAV: 30 -0.597320400797E+02 -0.15508E-04 -0.25407E-06 595 0.383E-03 0.432E-02
DAV: 31 -0.597320401201E+02 -0.40414E-07 -0.98986E-06 508 0.441E-03
1 F= -.59732040E+02 E0= -.59716655E+02 d E =-.461550E-01