[Q-e-developers] [Pw_forum] dynmat module

[Samuel Poncé]

Dear Paolo,

Ok thank you.

I've done it (hopefully correctly).
I tested compilation and ran a small test with dynmat.x on diamond phonons.

It seems to be working.

Note: I had to rename a subroutine ["readmat" ==> "readmat2"] because of
another subroutine with the same name in elphon.f90.

Best,

Samuel


On 4 May 2016 at 13:06, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> On Wed, May 4, 2016 at 12:43 PM, Samuel Poncé <samuel.pon at gmail.com>
> wrote:
>
>>
>> Indeed, I'm interested to re-use some subroutines like "set_asr".
>>
>> I could of course copy the subroutine I'm interested in but I would like
>> to avoid code duplication.
>>
>
> good to know that you like to avoid duplication. Apparently not everybody
> does the same, since at a quick glance I noticed
>
> - 4 equal copies of "sp_zeu"
> - 3 equal copies of "sp1", "sp2", "sp3"
> - 2 equal copies of "gammaq2r", read_gamma", "trasl"
>
>
>> Actually, the subroutines from dynmat.f90 could even be placed in the new
>> LR_Modules.
>>
>> What do you think?
>>
>
> not sure whether that is the best place, but I do not have any better
> suggestion right now, so it is ok for me
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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>


-- 

------------------------------------------------------------------------------------------------
    Dr. Samuel Poncé
    Department of Materials
    University of Oxford
    Parks Road
    Oxford OX1 3PH, UK

    Phone: +44 1865 612789
    email: samuel.ponce at materials.ox.ac.uk  <fabio.caruso at materials.ox.ac.uk>
    web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
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