[Pw_forum] possible filename inconsistency between ph.x and q2r.x ????

Giovanni Cantele giovanni.cantele at spin.cnr.it
Wed Mar 29 11:07:59 CEST 2017


OK, my error has been to specify the xml extension in the *.dyn* file list.

That line is not commented in qe-6.0

Giovanni

> On 29 Mar 2017, at 11:01, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> wrote:
> 
> On Wednesday, March 29, 2017 10:42:23 AM CEST Giovanni Cantele wrote:
>> because fildyn passed to read_dyn_mat_param subroutine ALREDy has xml
>> extension. Without it q2r.x complains with error
> 
> I did not have to do this in my case. Notice that you must not put the ".xml" 
> extension in the file list and that the filename in fildyn must not exist. Can 
> you send your input?
> 
>> PS Is there not way to skip this xml machinery, forced only in the non
>> collinear case?
> 
> In my version of PHonon/PH/phq_readin.f90, line 738 is commented out:
>  !IF (noncolin) xmldyn=.TRUE.
> 
> hth
> 
> -- 
> Dr. Lorenzo Paulatto 
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 442 79822 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
> 
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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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