[Pw_forum] regarding Wannier transport code

[Stefano de Gironcoli]

Dear T. Maitra,
     I think there are WanT users (and developers) among the subscribers 
to PWscf forum and therefore your query may get some reply.
     I just  wanted to  remind you  that you are asking  information 
about a code we have no control of, so maybe there is some other more 
effective mean to get help.
stefano

T.Maitra at tnw.utwente.nl wrote:
> Dear Dr. Stefano de Gironcoli,
>
> Sorry, I thought Pwscf forum also addresses questions on Wannier transport (wanT) code.
> Please let me know if I am wrong.
>
> -Thanks & regards
> Tulika
>
>
> -----Original Message-----
> From: pw_forum-bounces at pwscf.org on behalf of Stefano de Gironcoli
> Sent: Tue 6/17/2008 4:00 PM
> To: PWSCF Forum
> Subject: Re: [Pw_forum] regarding Wannier transport code
>  
> Dear T. Maitra,
>   are you addressing your question to the right forum ?
>   I found no file named kgrid.f90 in the QE distribution.
>   Stefano de Gironcoli  - SISSA and DEMOCRITOS
>  
> T.Maitra at tnw.utwente.nl wrote:
>   
>> Hello,
>>
>> I am a new user of wannier transport code (wanT). I want to ask two (probably naive) questions
>> to the experts of the code.
>>
>> 1. How does the programme 'kgrid.f90' which is supposed to calculate the k-points
>> in the full Brillouin Zone take into account the lattice structure? I mean, for example
>> the hexagonal lattice and simple cubic should have different set of k-points.
>>
>> 2. When I try to do a transport calculation with single k-point along the transport direction
>> the code doesn't calculate R = (0,0,1) block of the Hamiltonian matrix. But with more than
>> k-points along the transport direction it does it. Why is that so?
>>
>> Thanks in advance for your reply.
>>
>> Best regards
>> Tulika Maitra
>>
>>
>> -----------------------------------------
>> Tulika Maitra
>> Computational Materials Science
>> Faculty of Science and Technology 
>> University of Twente 
>> P.O. Box 217 
>> 7500 AE Enschede
>> The Netherlands
>>
>> Tel. +31-53-4893168
>> Fax: +31-53-4892910
>> E-mail: t.maitra at tnw.utwente.nl
>> -------------------------------------------
>>
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>>     
>
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