[Wien] problem with eece

Hemza Kouarta hemzakouarta.phy at gmail.com
Fri Aug 29 02:28:17 CEST 2014


Hi,

i use HF function on the 3d metal (Fe) intercalated in NbSe2 ,my
calculation is fine and converged,but when i do :

" x lapw2 -up -so -eece -qtl "   to calculate dos ,they give me this error :


 WARNING: EF not accurate, new emin,emax,NE-min,NE-max
-2.96097358895238
  -2.96097358242661        87.9999969931765        88.0000074270098
 LAPW2 END
106.7u 4.6s 1:51.69 99.6% 0+0k 56+69824io 0pf+0w


And when i draw the dos there is no EF in my dos.

Any suggestions will help.

thank-you.
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