[QE-users] ph.x from v6.3 reads wrong celldm

[Paolo Giannozzi]

I think it was fixed in v.6.3 (not 6.3MaX that is a pre-release) by this
one-line commit:
https://gitlab.com/QEF/q-e/commit/9a579539b65bd1502d1f28747e483a1d1059f5f8

Paolo

On Wed, Oct 3, 2018 at 2:25 PM Raphael <raphaellonguinhos at gmail.com> wrote:

> Hi,
>
> ph.x from v6.3Max reads from outdir unexpected values for celldm and
> writes these in the  header of .dyn . It leads to "rescaled" distances in
> .axsf and polarizability in the dynmat.x out (omega, IR, Raman tensor and
> depolarization factor are as expected). Hand-correcting the .dyn header
> (correct values for celldm) solves it.
>
> Tests in v6.2 and 6.2.2 leads to expected results (they read from outdir
> the expected values for celldm).
>
> ph.x prints wrong celldm while reading from outdir ... it is not related
> to io_dyn_mat write_dyn_mat_header ... also, the .xml files are the same.
>
> Sorry if it was already noticed and corrected ... or if I'm missing
> something here.
>
> regards,
>
> Associate Professor Raphael Longuinhos Monteiro Lobato
> CV: http://lattes.cnpq.br/1475483971471395.
> Research group site: http://jenainassoares2.wixsite.com/nanomat
> (Portuguese only - English version on the way)
> Departamento de Fisica, Universidade Federal de Lavras
> Av. Dr. Silvio Menicucci 1001, bairro Kenedy
> Post office box 3037
> 37200-000 - Lavras, MG, Brazil
> _______________________________________________
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-- 
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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