[Wien] question

[Stefaan Cottenier]

Then you should read the usersguide better ;-). Total energy is  
labelled by :ENE and can be found in case.scf.

Stefaan

> 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
> --
> ----------------------------------------------------------------------
>  Momar Diakhate               www.physik.uni-kassel.de
> ----------------------------------------------------------------------
>  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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>



-- 
Stefaan Cottenier
Instituut voor Kern- en Stralingsfysica
K.U.Leuven
Celestijnenlaan 200 D
B-3001 Leuven (Belgium)

tel: + 32 16 32 71 45
fax: + 32 16 32 79 85
e-mail: stefaan.cottenier at fys.kuleuven.be


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