iterations/neb0_image07_iter18_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 0.209947367384E+04 0.20995E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.138443275461E+03 -0.22379E+04 -0.21527E+04 2152 0.262E+02
DAV: 3 -0.464038526802E+03 -0.32560E+03 -0.32092E+03 1856 0.107E+02
DAV: 4 -0.477154974215E+03 -0.13116E+02 -0.13066E+02 1984 0.229E+01
DAV: 5 -0.477622755669E+03 -0.46778E+00 -0.46749E+00 2096 0.379E+00 0.427E+01
DAV: 6 -0.448128066023E+03 0.29495E+02 -0.14763E+02 2024 0.316E+01 0.271E+01
DAV: 7 -0.445554711879E+03 0.25734E+01 -0.24592E+01 1864 0.116E+01 0.122E+01
DAV: 8 -0.445710972021E+03 -0.15626E+00 -0.79342E+00 2056 0.620E+00 0.778E+00
DAV: 9 -0.445818286065E+03 -0.10731E+00 -0.98060E+00 2232 0.465E+00 0.818E+00
DAV: 10 -0.445305509455E+03 0.51278E+00 -0.13134E+00 2496 0.448E+00 0.457E+00
DAV: 11 -0.445014785323E+03 0.29072E+00 -0.96479E-01 1832 0.185E+00 0.156E+00
DAV: 12 -0.445013887773E+03 0.89755E-03 -0.15715E-01 1968 0.957E-01 0.780E-01
DAV: 13 -0.445018823533E+03 -0.49358E-02 -0.27266E-02 1912 0.396E-01 0.598E-01
DAV: 14 -0.445043612965E+03 -0.24789E-01 -0.63557E-02 2232 0.417E-01 0.197E+00
DAV: 15 -0.445022332110E+03 0.21281E-01 -0.90021E-02 2360 0.469E-01 0.705E-01
DAV: 16 -0.445026169506E+03 -0.38374E-02 -0.55014E-03 1832 0.161E-01 0.400E-01
DAV: 17 -0.445026704486E+03 -0.53498E-03 -0.27491E-03 2136 0.136E-01 0.112E-01
DAV: 18 -0.445028540558E+03 -0.18361E-02 -0.12956E-03 1936 0.866E-02 0.164E-01
DAV: 19 -0.445030375083E+03 -0.18345E-02 -0.43635E-04 1920 0.560E-02 0.187E-01
DAV: 20 -0.445031599735E+03 -0.12247E-02 -0.53409E-04 2368 0.740E-02 0.352E-02
DAV: 21 -0.445033072987E+03 -0.14733E-02 -0.35463E-04 1800 0.435E-02 0.389E-02
DAV: 22 -0.445033923707E+03 -0.85072E-03 -0.15891E-04 1848 0.266E-02 0.848E-02
DAV: 23 -0.445034215434E+03 -0.29173E-03 -0.72175E-05 1760 0.227E-02 0.203E-02
DAV: 24 -0.445034408593E+03 -0.19316E-03 -0.41622E-05 1664 0.156E-02 0.186E-02
DAV: 25 -0.445034450091E+03 -0.41498E-04 -0.14954E-05 1088 0.106E-02 0.106E-02
DAV: 26 -0.445034498132E+03 -0.48041E-04 -0.51953E-06 1096 0.523E-03 0.988E-03
DAV: 27 -0.445034515551E+03 -0.17419E-04 -0.23778E-06 936 0.396E-03 0.276E-03
DAV: 28 -0.445034531431E+03 -0.15880E-04 -0.16843E-06 976 0.340E-03 0.104E-03
DAV: 29 -0.445034545938E+03 -0.14508E-04 -0.17161E-06 984 0.302E-03 0.338E-03
DAV: 30 -0.445034550706E+03 -0.47679E-05 -0.41726E-07 936 0.162E-03
1 F= -.44503455E+03 E0= -.44501944E+03 d E =-.453299E-01