iterations/neb0_image04_iter16_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 0.208876090390E+04 0.20888E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.140291302257E+03 -0.22291E+04 -0.21373E+04 2144 0.261E+02
DAV: 3 -0.465198426535E+03 -0.32491E+03 -0.32140E+03 1888 0.107E+02
DAV: 4 -0.477475219317E+03 -0.12277E+02 -0.12229E+02 1944 0.223E+01
DAV: 5 -0.477950297155E+03 -0.47508E+00 -0.47484E+00 2136 0.380E+00 0.428E+01
DAV: 6 -0.447719278245E+03 0.30231E+02 -0.14644E+02 2024 0.318E+01 0.365E+01
DAV: 7 -0.452877724818E+03 -0.51584E+01 -0.14930E+02 1864 0.149E+01 0.202E+01
DAV: 8 -0.446634544076E+03 0.62432E+01 -0.87311E+00 1800 0.917E+00 0.126E+01
DAV: 9 -0.447088455390E+03 -0.45391E+00 -0.30390E+01 1992 0.146E+01 0.203E+01
DAV: 10 -0.444604815453E+03 0.24836E+01 -0.18398E+01 1856 0.466E+00 0.888E+00
DAV: 11 -0.444273214884E+03 0.33160E+00 -0.66433E-01 2024 0.152E+00 0.854E+00
DAV: 12 -0.444024302239E+03 0.24891E+00 -0.21076E-01 2016 0.971E-01 0.638E+00
DAV: 13 -0.444040757010E+03 -0.16455E-01 -0.49047E+00 2192 0.147E+00 0.114E+01
DAV: 14 -0.443623070757E+03 0.41769E+00 -0.29132E+00 2024 0.112E+00 0.411E+00
DAV: 15 -0.444108022887E+03 -0.48495E+00 -0.38208E+00 1992 0.185E+00 0.113E+01
DAV: 16 -0.443812750996E+03 0.29527E+00 -0.32155E+00 1960 0.157E+00 0.676E+00
DAV: 17 -0.443651770362E+03 0.16098E+00 -0.25193E-01 1936 0.973E-01 0.436E+00
DAV: 18 -0.443751026878E+03 -0.99257E-01 -0.24872E+00 2296 0.130E+00 0.443E+00
DAV: 19 -0.443643125400E+03 0.10790E+00 -0.97052E-02 1840 0.654E-01 0.230E+00
DAV: 20 -0.443692410909E+03 -0.49286E-01 -0.77911E-01 2104 0.656E-01 0.445E+00
DAV: 21 -0.443646020628E+03 0.46390E-01 -0.11602E+00 2144 0.585E-01 0.275E+00
DAV: 22 -0.443656488621E+03 -0.10468E-01 -0.31395E-02 1728 0.277E-01 0.168E+00
DAV: 23 -0.443647549435E+03 0.89392E-02 -0.83398E-03 2064 0.131E-01 0.682E-01
DAV: 24 -0.443662297463E+03 -0.14748E-01 -0.64397E-03 1888 0.100E-01 0.100E+00
DAV: 25 -0.443662904186E+03 -0.60672E-03 -0.24025E-03 1920 0.873E-02 0.110E+00
DAV: 26 -0.443660885037E+03 0.20191E-02 -0.10504E-02 1968 0.944E-02 0.213E-01
DAV: 27 -0.443671271160E+03 -0.10386E-01 -0.12980E-03 1744 0.716E-02 0.161E-01
DAV: 28 -0.443672099804E+03 -0.82864E-03 -0.25760E-04 1744 0.267E-02 0.735E-02
DAV: 29 -0.443672710787E+03 -0.61098E-03 -0.36358E-04 1736 0.247E-02 0.308E-01
DAV: 30 -0.443671969041E+03 0.74175E-03 -0.35220E-04 1648 0.238E-02 0.101E-01
DAV: 31 -0.443672600817E+03 -0.63178E-03 -0.11021E-04 1304 0.153E-02 0.360E-02
DAV: 32 -0.443672849382E+03 -0.24857E-03 -0.32922E-05 1320 0.111E-02 0.345E-02
DAV: 33 -0.443672894726E+03 -0.45345E-04 -0.82281E-06 1088 0.479E-03 0.560E-02
DAV: 34 -0.443672886850E+03 0.78761E-05 -0.52445E-06 952 0.473E-03
1 F= -.44367289E+03 E0= -.44364720E+03 d E =-.770718E-01