[Pw_forum] q-points unit

[Stefano de Gironcoli]

The only ones that the code knows... those given in the output of scf 
calculation with pw.

stefano

On 05/22/2011 03:38 PM, Seyed Mojtaba Rezaei Sani wrote:
> Dear Stefano
>
> Thanks, but which one: reciprocal primitive or conventional vectors?
>
>
> On Sun, May 22, 2011 at 4:37 PM, Stefano de Gironcoli<degironc at sissa.it>wrote:
>
>>   if given explicitly they are in Cartesian coordinates in unit of 2pi/a
>> If chosen by the ldisp=.true. flag they are given as fractions of
>> reciprocal lattice vectors
>>
>> stefano
>> -
>> Stefano de Gironcoli - SISSA and DEMOCRITOS
>>
>>
>> On 05/22/2011 01:27 PM, Seyed Mojtaba Rezaei Sani wrote:
>>
>> Dear all
>>
>> I have a simple question. All q-points in phonon calculations are with
>> respect to reciprocal primitive vectors, aren't they?
>>
>> Best regards
>>
>>
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