iterations/neb0_image08_iter62_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 0.210197113827E+04 0.21020E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142018211427E+03 -0.22440E+04 -0.21538E+04 2168 0.262E+02
DAV: 3 -0.466218331794E+03 -0.32420E+03 -0.32089E+03 1824 0.108E+02
DAV: 4 -0.479043251623E+03 -0.12825E+02 -0.12773E+02 2000 0.228E+01
DAV: 5 -0.479496838454E+03 -0.45359E+00 -0.45338E+00 2128 0.378E+00 0.427E+01
DAV: 6 -0.447485732529E+03 0.32011E+02 -0.14343E+02 2008 0.311E+01 0.271E+01
DAV: 7 -0.448516723219E+03 -0.10310E+01 -0.63250E+01 1880 0.110E+01 0.137E+01
DAV: 8 -0.446758080329E+03 0.17586E+01 -0.86242E+00 2520 0.801E+00 0.100E+01
DAV: 9 -0.446599083920E+03 0.15900E+00 -0.16676E+01 2072 0.450E+00 0.552E+00
DAV: 10 -0.445941910025E+03 0.65717E+00 -0.84573E-01 2192 0.431E+00 0.487E+00
DAV: 11 -0.445886342762E+03 0.55567E-01 -0.28919E+00 1912 0.195E+00 0.415E+00
DAV: 12 -0.445805836729E+03 0.80506E-01 -0.16074E+00 1952 0.113E+00 0.251E+00
DAV: 13 -0.445830953320E+03 -0.25117E-01 -0.95495E-01 1976 0.742E-01 0.296E+00
DAV: 14 -0.445779288878E+03 0.51664E-01 -0.36592E-01 1984 0.651E-01 0.546E-01
DAV: 15 -0.445788399700E+03 -0.91108E-02 -0.14903E-02 1944 0.271E-01 0.621E-01
DAV: 16 -0.445787344092E+03 0.10556E-02 -0.53465E-03 1920 0.128E-01 0.251E-01
DAV: 17 -0.445788951247E+03 -0.16072E-02 -0.21191E-03 1952 0.975E-02 0.927E-02
DAV: 18 -0.445791504891E+03 -0.25536E-02 -0.40092E-04 1888 0.615E-02 0.135E-01
DAV: 19 -0.445794029292E+03 -0.25244E-02 -0.72383E-04 2072 0.741E-02 0.224E-01
DAV: 20 -0.445795233273E+03 -0.12040E-02 -0.96019E-04 2008 0.739E-02 0.200E-01
DAV: 21 -0.445796190887E+03 -0.95761E-03 -0.46591E-04 1816 0.494E-02 0.733E-02
DAV: 22 -0.445796679024E+03 -0.48814E-03 -0.17525E-04 1816 0.360E-02 0.235E-02
DAV: 23 -0.445796958491E+03 -0.27947E-03 -0.87794E-05 1728 0.206E-02 0.324E-02
DAV: 24 -0.445797068888E+03 -0.11040E-03 -0.47847E-05 1632 0.205E-02 0.211E-02
DAV: 25 -0.445797132780E+03 -0.63892E-04 -0.16495E-05 1080 0.972E-03 0.133E-02
DAV: 26 -0.445797199608E+03 -0.66828E-04 -0.53555E-06 1096 0.572E-03 0.218E-02
DAV: 27 -0.445797235968E+03 -0.36360E-04 -0.32118E-06 1016 0.517E-03 0.345E-03
DAV: 28 -0.445797256765E+03 -0.20798E-04 -0.26271E-06 936 0.385E-03 0.557E-03
DAV: 29 -0.445797266143E+03 -0.93779E-05 -0.83324E-07 968 0.212E-03
1 F= -.44579727E+03 E0= -.44577062E+03 d E =-.799439E-01