iterations/neb0_image08_iter30_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 0.210410302428E+04 0.21041E+04 -0.11605E+05 1696 0.105E+03
DAV: 2 -0.140786230249E+03 -0.22449E+04 -0.21556E+04 2160 0.262E+02
DAV: 3 -0.466565517920E+03 -0.32578E+03 -0.32249E+03 1864 0.108E+02
DAV: 4 -0.478827745350E+03 -0.12262E+02 -0.12212E+02 1936 0.223E+01
DAV: 5 -0.479289427205E+03 -0.46168E+00 -0.46144E+00 2144 0.380E+00 0.429E+01
DAV: 6 -0.447671004338E+03 0.31618E+02 -0.14449E+02 1992 0.312E+01 0.271E+01
DAV: 7 -0.447900937170E+03 -0.22993E+00 -0.41866E+01 1856 0.112E+01 0.135E+01
DAV: 8 -0.447110077190E+03 0.79086E+00 -0.78497E+00 2424 0.802E+00 0.992E+00
DAV: 9 -0.446017317684E+03 0.10928E+01 -0.90734E+00 2088 0.455E+00 0.575E+00
DAV: 10 -0.446373536399E+03 -0.35622E+00 -0.59560E+00 2216 0.445E+00 0.643E+00
DAV: 11 -0.445671612027E+03 0.70192E+00 -0.10239E+00 1904 0.213E+00 0.274E+00
DAV: 12 -0.445692983735E+03 -0.21372E-01 -0.11315E+00 1976 0.145E+00 0.310E+00
DAV: 13 -0.445670460227E+03 0.22524E-01 -0.74051E-01 1928 0.847E-01 0.162E+00
DAV: 14 -0.445696812551E+03 -0.26352E-01 -0.53685E-01 1912 0.561E-01 0.257E+00
DAV: 15 -0.445665438482E+03 0.31374E-01 -0.67307E-02 2008 0.435E-01 0.861E-01
DAV: 16 -0.445667252222E+03 -0.18137E-02 -0.16333E-02 1952 0.267E-01 0.292E-01
DAV: 17 -0.445670536704E+03 -0.32845E-02 -0.37071E-03 1864 0.149E-01 0.182E-01
DAV: 18 -0.445672203123E+03 -0.16664E-02 -0.27440E-03 1824 0.118E-01 0.339E-01
DAV: 19 -0.445672598620E+03 -0.39550E-03 -0.67252E-04 2208 0.108E-01 0.817E-02
DAV: 20 -0.445674780803E+03 -0.21822E-02 -0.12304E-03 1904 0.105E-01 0.933E-02
DAV: 21 -0.445676642112E+03 -0.18613E-02 -0.65897E-04 1952 0.604E-02 0.127E-01
DAV: 22 -0.445677434234E+03 -0.79212E-03 -0.60650E-04 1944 0.518E-02 0.620E-02
DAV: 23 -0.445677866763E+03 -0.43253E-03 -0.85479E-05 1800 0.205E-02 0.316E-02
DAV: 24 -0.445678257872E+03 -0.39111E-03 -0.57819E-05 1648 0.194E-02 0.730E-02
DAV: 25 -0.445678338851E+03 -0.80979E-04 -0.32818E-05 1408 0.175E-02 0.786E-03
DAV: 26 -0.445678423981E+03 -0.85130E-04 -0.16054E-05 1184 0.913E-03 0.167E-02
DAV: 27 -0.445678464554E+03 -0.40573E-04 -0.27991E-06 1008 0.421E-03 0.892E-03
DAV: 28 -0.445678501058E+03 -0.36504E-04 -0.28889E-06 1056 0.413E-03 0.206E-03
DAV: 29 -0.445678516677E+03 -0.15619E-04 -0.10324E-06 944 0.233E-03 0.322E-03
DAV: 30 -0.445678521703E+03 -0.50258E-05 -0.36194E-07 936 0.142E-03
1 F= -.44567852E+03 E0= -.44565387E+03 d E =-.739510E-01