[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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