[Wien] problem during thermal calculations

pboulet pascal.boulet at univ-amu.fr
Fri Jun 28 14:29:17 CEST 2019


Hello,

Note that this mailing-list is about Wien2k, not BoltzTraP. 

In any case, if you want someone to help you, you need to provide much more information (what do you want to calculate, which file is not found, what is exactly the error message, how did you installed BoltzTraP, …).

Also, please provide your affiliation.

Best regards,
Pascal


Pascal Boulet
—
Professor in computational chemistry - DEPARTMENT OF CHEMISTRY
Aix-Marseille University - Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE
Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
Email : pascal.boulet at univ-amu.fr <mailto:pascal.boulet at univ-amu.fr>






> Le 28 juin 2019 à 13:54, GM RAI <gmrai at gcu.edu.pk> a écrit :
> 
> Dear Wien2k mailing list, 
> 
> I am trying to calculate thermal properties of magnetic materials using BoltzTrap,
> 
> I found the message, Stop error in opening file, during the command x_trans BoltzTrap,
> 
> Please any one guide to remove this error 
> 
> -- 
> Murtaza
> 
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