iterations/neb0_image04_iter67_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 0.209159376765E+04 0.20916E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.138443481751E+03 -0.22300E+04 -0.21406E+04 2128 0.262E+02
DAV: 3 -0.464664739134E+03 -0.32622E+03 -0.32178E+03 1856 0.107E+02
DAV: 4 -0.477522113418E+03 -0.12857E+02 -0.12807E+02 1968 0.227E+01
DAV: 5 -0.477988798442E+03 -0.46669E+00 -0.46642E+00 2168 0.377E+00 0.430E+01
DAV: 6 -0.448954118901E+03 0.29035E+02 -0.14876E+02 2024 0.320E+01 0.376E+01
DAV: 7 -0.453360736164E+03 -0.44066E+01 -0.23369E+02 1912 0.152E+01 0.206E+01
DAV: 8 -0.447226634838E+03 0.61341E+01 -0.93756E+00 1792 0.889E+00 0.127E+01
DAV: 9 -0.446291664427E+03 0.93497E+00 -0.26672E+01 1936 0.125E+01 0.105E+01
DAV: 10 -0.445633483555E+03 0.65818E+00 -0.36349E+00 1888 0.373E+00 0.925E+00
DAV: 11 -0.444464310240E+03 0.11692E+01 -0.31524E+00 2128 0.395E+00 0.232E+00
DAV: 12 -0.444547699887E+03 -0.83390E-01 -0.11882E+00 2000 0.213E+00 0.292E+00
DAV: 13 -0.444512600120E+03 0.35100E-01 -0.68936E-01 2024 0.116E+00 0.264E+00
DAV: 14 -0.444640531879E+03 -0.12793E+00 -0.18585E+00 1968 0.124E+00 0.612E+00
DAV: 15 -0.444450406964E+03 0.19012E+00 -0.16972E+00 2472 0.115E+00 0.115E+00
DAV: 16 -0.444479793919E+03 -0.29387E-01 -0.52486E-02 1880 0.561E-01 0.919E-01
DAV: 17 -0.444473300203E+03 0.64937E-02 -0.16469E-02 2088 0.302E-01 0.684E-01
DAV: 18 -0.444471058508E+03 0.22417E-02 -0.32733E-03 1832 0.125E-01 0.660E-01
DAV: 19 -0.444471963255E+03 -0.90475E-03 -0.43308E-03 2440 0.150E-01 0.517E-01
DAV: 20 -0.444475487497E+03 -0.35242E-02 -0.14738E-03 2080 0.113E-01 0.515E-01
DAV: 21 -0.444476178195E+03 -0.69070E-03 -0.52444E-03 1928 0.160E-01 0.258E-01
DAV: 22 -0.444477942599E+03 -0.17644E-02 -0.20858E-03 2056 0.915E-02 0.251E-01
DAV: 23 -0.444480438559E+03 -0.24960E-02 -0.38008E-03 2000 0.167E-01 0.254E-01
DAV: 24 -0.444481486708E+03 -0.10481E-02 -0.17281E-03 2136 0.109E-01 0.734E-02
DAV: 25 -0.444483258630E+03 -0.17719E-02 -0.17222E-03 1912 0.895E-02 0.172E-01
DAV: 26 -0.444483705143E+03 -0.44651E-03 -0.42975E-04 1936 0.530E-02 0.724E-02
DAV: 27 -0.444483986852E+03 -0.28171E-03 -0.13041E-04 1864 0.241E-02 0.652E-02
DAV: 28 -0.444484122609E+03 -0.13576E-03 -0.57796E-05 1328 0.140E-02 0.834E-02
DAV: 29 -0.444484232109E+03 -0.10950E-03 -0.10691E-04 1848 0.296E-02 0.208E-02
DAV: 30 -0.444484304353E+03 -0.72244E-04 -0.29166E-05 1312 0.120E-02 0.204E-02
DAV: 31 -0.444484326848E+03 -0.22496E-04 -0.66805E-06 992 0.627E-03 0.135E-02
DAV: 32 -0.444484354429E+03 -0.27581E-04 -0.71288E-06 1152 0.624E-03 0.161E-02
DAV: 33 -0.444484366697E+03 -0.12268E-04 -0.84319E-06 1016 0.760E-03 0.441E-03
DAV: 34 -0.444484375258E+03 -0.85613E-05 -0.37147E-06 944 0.506E-03
1 F= -.44448438E+03 E0= -.44448055E+03 d E =-.114656E-01