[Wien] wien2wannier interface
Elias Assmann
elias.assmann at gmail.com
Wed Mar 11 08:19:11 CET 2015
On 03/11/2015 07:24 AM, wasim raja Mondal wrote:
> wplot2xsf.py subdir_final 2 >>o.out
I think wplot2xsf.py is still the pre-1.0 incarnation of wplot2xsf_lapw
(as it is known in the new Wien2k distribution). Two suggestions if you
want to use the new version now:
* Remove the old wien2wannier from your $PATH.
* Read the documentation. Yes, even if you are an experienced pre-1.0
user; a lot of things have changed. You may get away with only looking
at the file CHEATSHEET.
> Is this o.out file is in xsf format which I have to see in xcrysden?
That does look like an xsf file (just look at another xsf and compare —
there is also a good description of the format on the XCrySDen homepage
http://lmgtfy.com/?q=xsf+format&l=1).
Elias
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