./iterations/neb0_image04_iter73_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 0.209152474750E+04 0.20915E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.139078453432E+03 -0.22306E+04 -0.21419E+04 2136 0.262E+02
DAV: 3 -0.464551460303E+03 -0.32547E+03 -0.32101E+03 1848 0.107E+02
DAV: 4 -0.477414650051E+03 -0.12863E+02 -0.12814E+02 2000 0.226E+01
DAV: 5 -0.477851688309E+03 -0.43704E+00 -0.43678E+00 2144 0.368E+00 0.430E+01
DAV: 6 -0.449167886074E+03 0.28684E+02 -0.14902E+02 2032 0.319E+01 0.380E+01
DAV: 7 -0.453316080505E+03 -0.41482E+01 -0.24658E+02 1912 0.153E+01 0.206E+01
DAV: 8 -0.447287346392E+03 0.60287E+01 -0.96874E+00 1776 0.877E+00 0.127E+01
DAV: 9 -0.445571572160E+03 0.17158E+01 -0.17936E+01 1984 0.122E+01 0.104E+01
DAV: 10 -0.444980848328E+03 0.59072E+00 -0.35708E+00 1896 0.377E+00 0.809E+00
DAV: 11 -0.444971251807E+03 0.95965E-02 -0.82905E+00 2104 0.430E+00 0.817E+00
DAV: 12 -0.444940192407E+03 0.31059E-01 -0.62436E+00 2200 0.381E+00 0.524E+00
DAV: 13 -0.444627485599E+03 0.31271E+00 -0.29634E-01 1920 0.138E+00 0.401E+00
DAV: 14 -0.444478625307E+03 0.14886E+00 -0.13128E+00 2120 0.142E+00 0.121E+00
DAV: 15 -0.444499516093E+03 -0.20891E-01 -0.74536E-02 1864 0.580E-01 0.102E+00
DAV: 16 -0.444530989974E+03 -0.31474E-01 -0.52942E-02 2072 0.302E-01 0.267E+00
DAV: 17 -0.444489182611E+03 0.41807E-01 -0.13373E-01 2512 0.649E-01 0.492E-01
DAV: 18 -0.444513252981E+03 -0.24070E-01 -0.43309E-02 1936 0.379E-01 0.120E+00
DAV: 19 -0.444500063893E+03 0.13189E-01 -0.16372E-02 2008 0.283E-01 0.704E-01
DAV: 20 -0.444498615335E+03 0.14486E-02 -0.69449E-03 1960 0.174E-01 0.466E-01
DAV: 21 -0.444500383544E+03 -0.17682E-02 -0.10051E-03 2016 0.808E-02 0.608E-01
DAV: 22 -0.444500432214E+03 -0.48669E-04 -0.10479E-03 2264 0.106E-01 0.579E-01
DAV: 23 -0.444501223785E+03 -0.79157E-03 -0.54703E-03 2136 0.206E-01 0.300E-01
DAV: 24 -0.444504154558E+03 -0.29308E-02 -0.19524E-03 2184 0.125E-01 0.240E-01
DAV: 25 -0.444508044948E+03 -0.38904E-02 -0.36033E-03 2048 0.160E-01 0.313E-01
DAV: 26 -0.444514839868E+03 -0.67949E-02 -0.11713E-02 2256 0.293E-01 0.380E-01
DAV: 27 -0.444514301958E+03 0.53791E-03 -0.30878E-03 1888 0.868E-02 0.379E-01
DAV: 28 -0.444513886939E+03 0.41502E-03 -0.29297E-04 2016 0.349E-02 0.353E-01
DAV: 29 -0.444513885152E+03 0.17871E-05 -0.12709E-03 2016 0.844E-02 0.363E-01
DAV: 30 -0.444510999166E+03 0.28860E-02 -0.87105E-03 2208 0.260E-01 0.344E-01
DAV: 31 -0.444509246857E+03 0.17523E-02 -0.77923E-03 2024 0.211E-01 0.352E-01
DAV: 32 -0.444508203609E+03 0.10432E-02 -0.21012E-03 1936 0.101E-01 0.340E-01
DAV: 33 -0.444505037372E+03 0.31662E-02 -0.45272E-03 2192 0.169E-01 0.328E-01
DAV: 34 -0.444504874846E+03 0.16253E-03 -0.15459E-03 1856 0.628E-02 0.373E-01
DAV: 35 -0.444505115128E+03 -0.24028E-03 -0.14854E-04 1504 0.225E-02 0.419E-01
DAV: 36 -0.444520567962E+03 -0.15453E-01 -0.42879E-02 2272 0.181E-01 0.247E+00
DAV: 37 -0.444493812718E+03 0.26755E-01 -0.26177E-03 1696 0.109E-01 0.185E+00
DAV: 38 -0.444489366601E+03 0.44461E-02 -0.75038E-02 2072 0.267E-01 0.331E-01
DAV: 39 -0.444505349482E+03 -0.15983E-01 -0.61235E-03 1776 0.154E-01 0.488E-01
DAV: 40 -0.444504485786E+03 0.86370E-03 -0.51973E-03 1872 0.108E-01 0.205E-01
DAV: 41 -0.444505289464E+03 -0.80368E-03 -0.11939E-03 1856 0.580E-02 0.250E-01
DAV: 42 -0.444504687474E+03 0.60199E-03 -0.68712E-05 1848 0.226E-02 0.234E-01
DAV: 43 -0.444504865078E+03 -0.17760E-03 -0.81124E-05 1304 0.185E-02 0.267E-01
DAV: 44 -0.444504685682E+03 0.17940E-03 -0.13859E-04 1656 0.277E-02 0.234E-01
DAV: 45 -0.444504644973E+03 0.40709E-04 -0.84917E-05 1696 0.222E-02 0.204E-01
DAV: 46 -0.444504636263E+03 0.87100E-05 -0.57959E-05 1276 0.151E-02
1 F= -.44450464E+03 E0= -.44450467E+03 d E =0.875330E-04