iterations/neb0_image08_iter67_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 0.210223070987E+04 0.21022E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142016325824E+03 -0.22442E+04 -0.21541E+04 2168 0.262E+02
DAV: 3 -0.466218069154E+03 -0.32420E+03 -0.32090E+03 1824 0.108E+02
DAV: 4 -0.479032365734E+03 -0.12814E+02 -0.12762E+02 1992 0.228E+01
DAV: 5 -0.479496233911E+03 -0.46387E+00 -0.46365E+00 2128 0.381E+00 0.427E+01
DAV: 6 -0.447457096774E+03 0.32039E+02 -0.14392E+02 2016 0.309E+01 0.271E+01
DAV: 7 -0.448588882466E+03 -0.11318E+01 -0.64766E+01 1880 0.110E+01 0.137E+01
DAV: 8 -0.446666016471E+03 0.19229E+01 -0.85505E+00 2480 0.801E+00 0.100E+01
DAV: 9 -0.446691579815E+03 -0.25563E-01 -0.18451E+01 2048 0.453E+00 0.555E+00
DAV: 10 -0.445885593329E+03 0.80599E+00 -0.87945E-01 2232 0.431E+00 0.422E+00
DAV: 11 -0.445913663800E+03 -0.28070E-01 -0.25542E+00 1904 0.185E+00 0.423E+00
DAV: 12 -0.445813835749E+03 0.99828E-01 -0.15876E+00 2024 0.113E+00 0.246E+00
DAV: 13 -0.445844857028E+03 -0.31021E-01 -0.95107E-01 2064 0.729E-01 0.301E+00
DAV: 14 -0.445789961963E+03 0.54895E-01 -0.39056E-01 2096 0.668E-01 0.596E-01
DAV: 15 -0.445799117843E+03 -0.91559E-02 -0.13883E-02 1960 0.268E-01 0.640E-01
DAV: 16 -0.445798137378E+03 0.98046E-03 -0.48399E-03 1936 0.135E-01 0.207E-01
DAV: 17 -0.445800250480E+03 -0.21131E-02 -0.20181E-03 1928 0.921E-02 0.963E-02
DAV: 18 -0.445802431158E+03 -0.21807E-02 -0.48283E-04 1912 0.547E-02 0.156E-01
DAV: 19 -0.445804546104E+03 -0.21149E-02 -0.56509E-04 2136 0.707E-02 0.132E-01
DAV: 20 -0.445806148780E+03 -0.16027E-02 -0.60600E-04 1976 0.607E-02 0.723E-02
DAV: 21 -0.445806989889E+03 -0.84111E-03 -0.16985E-04 1808 0.331E-02 0.183E-02
DAV: 22 -0.445807577785E+03 -0.58790E-03 -0.16289E-04 1848 0.277E-02 0.189E-02
DAV: 23 -0.445807841337E+03 -0.26355E-03 -0.68039E-05 1720 0.182E-02 0.729E-02
DAV: 24 -0.445807905593E+03 -0.64256E-04 -0.69865E-05 1512 0.201E-02 0.289E-02
DAV: 25 -0.445807986391E+03 -0.80799E-04 -0.20791E-05 1152 0.112E-02 0.168E-02
DAV: 26 -0.445808032806E+03 -0.46415E-04 -0.71597E-06 1080 0.733E-03 0.108E-02
DAV: 27 -0.445808060728E+03 -0.27922E-04 -0.46915E-06 952 0.554E-03 0.763E-03
DAV: 28 -0.445808079154E+03 -0.18425E-04 -0.18517E-06 992 0.329E-03 0.173E-03
DAV: 29 -0.445808089335E+03 -0.10181E-04 -0.98929E-07 944 0.221E-03 0.487E-03
DAV: 30 -0.445808094586E+03 -0.52513E-05 -0.31838E-07 936 0.137E-03
1 F= -.44580809E+03 E0= -.44578129E+03 d E =-.804178E-01