[Wien] BoltzTraP

[Gregory Pomrehn]

In case.intrans, do you have specified NOCALC instead of CALC?   I think if
NOCALC is specified, it looks to case.engre for the expansion coefficients.

Greg


2011/7/19 Malgorzata Bukala <bukala at ifpan.edu.pl>

> **
> Dear users of  Wien2k,
> I was going to use BoltzTraP code to study the transport properties. User
> guide of this program says that to run the program I must have three files,
> i.e. case.intrans, case.energy and case.struct. But when I try to run
> BoltzTraP code I receive an error message connected with the file
> case.engre. What is this file? It is necessary to run the BoltzTraP?
> Margo
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110719/6bc3d460/attachment.htm>