iterations/neb0_image09_iter56_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209686480496E+04 0.20969E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.142958406487E+03 -0.22398E+04 -0.21497E+04 2160 0.262E+02
DAV: 3 -0.466439247476E+03 -0.32348E+03 -0.32016E+03 1832 0.108E+02
DAV: 4 -0.479208495971E+03 -0.12769E+02 -0.12719E+02 1968 0.227E+01
DAV: 5 -0.479668882696E+03 -0.46039E+00 -0.46016E+00 2120 0.380E+00 0.427E+01
DAV: 6 -0.447167706485E+03 0.32501E+02 -0.14251E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.449085768268E+03 -0.19181E+01 -0.75030E+01 1936 0.111E+01 0.137E+01
DAV: 8 -0.446280315423E+03 0.28055E+01 -0.82638E+00 2432 0.799E+00 0.868E+00
DAV: 9 -0.446848236646E+03 -0.56792E+00 -0.15328E+01 1904 0.393E+00 0.490E+00
DAV: 10 -0.446010992711E+03 0.83724E+00 -0.67708E-01 2176 0.391E+00 0.323E+00
DAV: 11 -0.446137165640E+03 -0.12617E+00 -0.24410E+00 1904 0.164E+00 0.413E+00
DAV: 12 -0.446015516922E+03 0.12165E+00 -0.19647E+00 1984 0.128E+00 0.299E+00
DAV: 13 -0.446040266961E+03 -0.24750E-01 -0.13755E+00 2088 0.893E-01 0.321E+00
DAV: 14 -0.445971218373E+03 0.69049E-01 -0.46625E-01 2016 0.652E-01 0.629E-01
DAV: 15 -0.445977642233E+03 -0.64239E-02 -0.13574E-02 1920 0.238E-01 0.352E-01
DAV: 16 -0.445978431883E+03 -0.78965E-03 -0.39936E-03 1888 0.127E-01 0.924E-02
DAV: 17 -0.445980542867E+03 -0.21110E-02 -0.12854E-03 1928 0.782E-02 0.595E-02
DAV: 18 -0.445983833950E+03 -0.32911E-02 -0.51220E-03 2064 0.720E-02 0.424E-01
DAV: 19 -0.445986226492E+03 -0.23925E-02 -0.14709E-02 2248 0.132E-01 0.451E-01
DAV: 20 -0.445986565739E+03 -0.33925E-03 -0.15480E-03 1896 0.668E-02 0.544E-02
DAV: 21 -0.445987729134E+03 -0.11634E-02 -0.45800E-04 1800 0.473E-02 0.318E-02
DAV: 22 -0.445988260692E+03 -0.53156E-03 -0.29266E-04 1872 0.319E-02 0.853E-02
DAV: 23 -0.445988471497E+03 -0.21081E-03 -0.87132E-05 1672 0.192E-02 0.216E-02
DAV: 24 -0.445988653562E+03 -0.18206E-03 -0.71509E-05 1752 0.193E-02 0.178E-02
DAV: 25 -0.445988770695E+03 -0.11713E-03 -0.99529E-06 1136 0.884E-03 0.129E-02
DAV: 26 -0.445988855688E+03 -0.84992E-04 -0.91301E-06 1152 0.613E-03 0.951E-03
DAV: 27 -0.445988876434E+03 -0.20746E-04 -0.41498E-06 936 0.381E-03 0.972E-03
DAV: 28 -0.445988916376E+03 -0.39943E-04 -0.46095E-06 1072 0.561E-03 0.362E-03
DAV: 29 -0.445988925402E+03 -0.90258E-05 -0.11737E-06 936 0.273E-03
1 F= -.44598893E+03 E0= -.44596264E+03 d E =-.788555E-01