[Pw_forum] Tetrahedron and alpha2f.x problem

[Mitsuaki Kawamura]

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
--------------------------------------------------