[Wannier] Using Wannier90 with SIESTA

[Nick Papior Andersen]

Maybe I can chip in here.

The Wannier code for siesta is not released and as far as I know it has
never been public. The development has stalled on this code.

The siesta2wannier code I have checked was only functional for serial
execution (which is hardly what you want?).

The implementation of the interface was done by Richard Korytar et al.

2015-04-15 11:56 GMT+02:00 Nicola Marzari <nicola.marzari at epfl.ch>:

>
>
> Dear Jesse,
>
>
> you might want to ask the siesta developers - I've just checked the
> 3.2 manual and it doesn't mention that.
>
> Note that TranSiesta does transport calculations based on Siesta,
> QuantumWise sells commercial codes based on TranSiesta to do transport,
> and that both Wannier90 and WanT do transport calculations based on
> MLWFs calculated with QE or other codes.
>
>                                 nicola
>
>
>
>
>
> On 15/04/2015 05:52, Jesse Vaitkus wrote:
>
>> Hello,
>>
>> I have recently read a lot of work on MLWFs and I believe they will be
>> an excellent boon for my transport calculations. I have already
>> designed and converged all of my structures in SIESTA and was
>> wondering how to interface your code with it. I assume this is
>> possible from reading the literature and the line "Currently, as far
>> as we are aware, the following electronic structure codes interface to
>> Wannier90: [...] SIESTA" on your downloads page. Any information would
>> be helpful.
>>
>> Cheers,
>> Jesse Vaitkus
>> _______________________________________________
>> Wannier mailing list
>> Wannier at quantum-espresso.org
>> http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier
>>
>>
> --
>
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> Director, National Centre for Competence in Research NCCR MARVEL, EPFL
>
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>



-- 
Kind regards Nick
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