iterations/neb0_image03_iter56_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 0.209776633412E+04 0.20978E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138582454489E+03 -0.22363E+04 -0.21456E+04 2160 0.262E+02
DAV: 3 -0.463771790212E+03 -0.32519E+03 -0.31955E+03 1920 0.108E+02
DAV: 4 -0.476819680201E+03 -0.13048E+02 -0.13004E+02 1952 0.228E+01
DAV: 5 -0.477283126821E+03 -0.46345E+00 -0.46323E+00 2144 0.379E+00 0.432E+01
DAV: 6 -0.453433789984E+03 0.23849E+02 -0.14792E+02 2016 0.319E+01 0.422E+01
DAV: 7 -0.453728358152E+03 -0.29457E+00 -0.83368E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447241615187E+03 0.64867E+01 -0.99732E+00 1864 0.846E+00 0.136E+01
DAV: 9 -0.447061560716E+03 0.18005E+00 -0.21273E+01 2024 0.110E+01 0.118E+01
DAV: 10 -0.446274057724E+03 0.78750E+00 -0.38810E+00 1824 0.345E+00 0.110E+01
DAV: 11 -0.445493308177E+03 0.78075E+00 -0.63501E-01 1968 0.197E+00 0.937E+00
DAV: 12 -0.445306860594E+03 0.18645E+00 -0.69593E+00 2088 0.481E+00 0.114E+01
DAV: 13 -0.444419135152E+03 0.88773E+00 -0.12812E+00 1976 0.401E+00 0.574E+00
DAV: 14 -0.444186710434E+03 0.23242E+00 -0.28366E-01 1832 0.113E+00 0.247E+00
DAV: 15 -0.444163558640E+03 0.23152E-01 -0.12354E-01 1864 0.808E-01 0.103E+00
DAV: 16 -0.444203337528E+03 -0.39779E-01 -0.40072E-02 2032 0.595E-01 0.168E+00
DAV: 17 -0.444197750338E+03 0.55872E-02 -0.12795E-02 1880 0.305E-01 0.121E+00
DAV: 18 -0.444195267393E+03 0.24829E-02 -0.48151E-03 2024 0.185E-01 0.669E-01
DAV: 19 -0.444197949980E+03 -0.26826E-02 -0.49038E-03 1928 0.192E-01 0.298E-01
DAV: 20 -0.444201350677E+03 -0.34007E-02 -0.16630E-03 1896 0.121E-01 0.261E-01
DAV: 21 -0.444201491510E+03 -0.14083E-03 -0.73959E-04 1864 0.829E-02 0.153E-01
DAV: 22 -0.444201931993E+03 -0.44048E-03 -0.15277E-04 1848 0.310E-02 0.434E-02
DAV: 23 -0.444203707888E+03 -0.17759E-02 -0.38606E-04 1840 0.569E-02 0.158E-01
DAV: 24 -0.444204618535E+03 -0.91065E-03 -0.33368E-04 1912 0.419E-02 0.561E-02
DAV: 25 -0.444205166476E+03 -0.54794E-03 -0.14311E-04 1792 0.381E-02 0.542E-02
DAV: 26 -0.444205332631E+03 -0.16615E-03 -0.10519E-04 1840 0.265E-02 0.324E-02
DAV: 27 -0.444205395822E+03 -0.63192E-04 -0.13123E-05 1216 0.101E-02 0.208E-02
DAV: 28 -0.444205470000E+03 -0.74177E-04 -0.17803E-05 1352 0.124E-02 0.260E-02
DAV: 29 -0.444205499576E+03 -0.29577E-04 -0.93710E-06 1040 0.845E-03 0.841E-03
DAV: 30 -0.444205535610E+03 -0.36033E-04 -0.40028E-06 1080 0.497E-03 0.690E-03
DAV: 31 -0.444205556181E+03 -0.20571E-04 -0.14488E-06 1008 0.292E-03 0.311E-03
DAV: 32 -0.444205564790E+03 -0.86091E-05 -0.78693E-07 936 0.292E-03
1 F= -.44420556E+03 E0= -.44419468E+03 d E =-.326484E-01