[Wien] question

Momar Diakhate diakhate at physik.uni-kassel.de
Tue Aug 15 15:29:29 CEST 2006


Dear wien user,
i am new wien2k code user.
_The purpose of my calculations is to get total energy as function of cell 
volume using LDA+U(SIC) method in an fcc f-electron system.
I have already tried the following command respectively in the job script with 
the Case.struct and Case.inorb file.
run_lapw -so
x lapwdm
x orb
But i can not not get the energy file. 
Your help for getting the scheme to calcularte the total energy will be 
greatfull.
_Yes, I have browsed the archives AND READ THE USERS GUIDE and the
FAQ pages Peter provides, but I couldn't solve my problem that way.
Best regards
-- 
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 Momar Diakhate               www.physik.uni-kassel.de
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 diakhate at physik.uni-kassel.de | Theoretische Physik,
                             | FB 18, Universitaet Kassel
 Tel: +49561 804 4482        | Heinrich-Plett-Str.40,
 Fax: +49561 804 4006        | 34132 Kassel, Germany
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