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 <mkawam...@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 : mkawam...@issp.u-tokyo.ac.jp > ------------------------------------------------------ > > From: pw_forum-boun...@pwscf.org [mailto:pw_forum-boun...@pwscf.org] On > Behalf Of Huseyin Yasin Uzunok > Sent: Saturday, September 16, 2017 3:18 AM > To: PWSCF Forum <pw_forum@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 > -------------------------------------------------- > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- ----------------------------------------------------------- *Arş. Gör. H. Yasin UZUNOK* *Sakarya Üniversitesi Fizik Bölümü* *Tel:+90 264 2956192* *Gsm: +90 554 7300135*--------------------------------------------------
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