[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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