[Wien] problem with Onsite-exact-exchange.

Hemza Kouarta hemzakouarta.phy at gmail.com
Sat Aug 30 16:11:55 CEST 2014


Hi,
I have done a calculation using Onsite-exact-exchange (-eece) only on the
3d of iron (in material : Fe1/4NbSe2) with soc .
My calculation is converged and give a good result ,but when try to analyse
the dos with :

 " x lapw2 -up -so -eece -qtl "

I have this error :

WARNING: EF not accurate, new emin,emax,NE-min,NE-max
-2.96097358895238
  -2.96097358242661        87.9999969931765        88.0000074270098
 LAPW2 END

Any suggestion will help soon as possible ,and thank-you.
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