[Wien] Version 7.1

[Yongbin Lee]

Dear Prof. Blaha and wien-users

  I have tested "-eece" option with LuFe2 and met a problem.
I set *.ineec for Fe d-orbitals(Let me think physcs latter). With "EECE or
HYBR", lapw0 could not creat
any potential files like *.vspup, *.vspdn, *.vnsup, *.vnsdn and lapw1 could not run.

I think it must be related to cubic symmetry because the calculation with body
centered tetragoanl strucuture which are created with extended c-lattice
constant does not show this problem. But It is not easy for me to verify where
problem comes. Any idea ?
Just in case I attached my structure file

 Thank you your help

  Sincerely 
  Yongbin


 



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