The ABINIT Users Mailing List ( CLOSED )

[rangel@pcpm.ucl.ac.be]

Dear Sergey, 

There is a project to include wannier90 into abinit. 
However, it is not yet in production.
In abinit 5.4.3 you can start to calculate some wannier functions. 
You have to compile with a flag to include wannier.
./configure --enable-wannier90
and you have to set prtwant=3 in  your input file. 

You can start making some tests, but it is convenient to wait until it is
released for production. There may be some things to fix. 

Regards,
Tonatiuh


Quoting levuser@gmail.com:

> Dear all,
> 
> Is it possible to calculate Wannier functions with ABINIT yet? How to do
> this?
> 
> Thanks!
> 
> Sergey.
> 


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