[Pw_forum] Tetrahedron and alpha2f.x problem

[Hüseyin Yasin Uzunok]

Thank you very much for your help. Have a nice day.

2017-09-16 16:45 GMT+03:00 Mitsuaki Kawamura <mkawamura at issp.u-tokyo.ac.jp>:

> Dera Dr. UZUNOK
>
> The reference output is also modified.
> https://github.com/QEF/q-e/tree/master/PHonon/examples/
> tetra_example/reference
>
> Best regards,
> Mitsuaki Kawamura
>
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Huseyin Yasin Uzunok
> Sent: Saturday, September 16, 2017 7:13 PM
> To: PWSCF Forum <pw_forum at pwscf.org>
> Subject: Re: [Pw_forum] Tetrahedron and alpha2f.x problem
>
> Thank you Dr. Mitsuaki Kawamura. New input was quite a help. But it does
> not gave the same results in the references file. it it normal?
>
> 2017-09-16 8:13 GMT+03:00 Mitsuaki Kawamura <mkawamura at issp.u-tokyo.ac.jp>
> :
> Dear Dr. UZUNOK
>
> Hello,
>
> I am sorry, the input-file format of alpha2f.x program was modified and
> the script for the example does not work correctly.
> The correct run_example script is included in the developing version of
> QE. It is available here:
>
> https://github.com/QEF/q-e/blob/master/PHonon/examples/
> tetra_example/run_example
>
> I am sorry for the inconvenience.
>
> Best regards,
> Mitsuaki Kawamura
>
> --
> ------------------------------------------------------
> Dr. Mitsuaki Kawamura
> Software Advancement Team
> Supercomputer Section
> Materials Design and Characterization Laboratory
> The Institute for Solid State Physics, Kashiwa, Japan
> e-mail : mkawamura at issp.u-tokyo.ac.jp
> ------------------------------------------------------
>
> From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
> Behalf Of Huseyin Yasin Uzunok
> Sent: Saturday, September 16, 2017 3:18 AM
> To: PWSCF Forum <pw_forum at pwscf.org>
> Subject: [Pw_forum] Tetrahedron and alpha2f.x problem
>
> Dear QE community,
>
> I have tried to run tetra_example in the qe-6.1/Examples/PHonon directory
> for Aluminum. At first in the phonon calculation, it gave an error. So I
> recompiled it as suggested in this link;
>
> http://qe-forge.org/pipermail/pw_forum/2017-April/112600.html
>
> With this, I can able to do phonon and electron phonon calculations with
> tetrahedron occupation. But I could not able to run alpha2f.x execution. I
> follow the suggestions and I found this entry;
>
>
> http://qe-forge.org/pipermail/pw_forum/2017-April/112604.html
>
> I took the files in the links and tried to recompile the PHonon. (By the
> way, In the "Makefile" there is an UtilXlib that normally noy included. ı
> have found it at the internet but it was no use.) I have compiled the
> alpha2f.x and tried the tetre_example again. I have an error massage as
> follow;
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%
>      task #         0
>      from phq_readin : error #         1
>      reading inputph namelist
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%
>
> Is this error caused by the phq_readin.f90 or is it about my executable
> file? Thanks in advance.
> --
> -----------------------------------------------------------
> Arş. Gör. H. Y. UZUNOK
> Sakarya Üniversitesi Fizik Bölümü
> Tel:+90 264 2956192
> Gsm: +90 554 7300135
> --------------------------------------------------
>
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>
>
>
> --
> -----------------------------------------------------------
> Arş. Gör. H. Yasin UZUNOK
> Sakarya Üniversitesi Fizik Bölümü
> Tel:+90 264 2956192
> Gsm: +90 554 7300135
> --------------------------------------------------
>
>
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-- 
-----------------------------------------------------------



*Arş. Gör. H. Yasin UZUNOK*


*Sakarya Üniversitesi Fizik Bölümü*
*Tel:+90 264 2956192*

*Gsm: +90 554 7300135*--------------------------------------------------
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