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: [email protected] [mailto:[email protected]] On Behalf Of Huseyin Yasin Uzunok Sent: Saturday, September 16, 2017 7:13 PM To: PWSCF Forum <[email protected]> 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 <[email protected]>: 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 : [email protected] ------------------------------------------------------ From: [email protected] [mailto:[email protected]] On Behalf Of Huseyin Yasin Uzunok Sent: Saturday, September 16, 2017 3:18 AM To: PWSCF Forum <[email protected]> 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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum -- ----------------------------------------------------------- Arş. Gör. H. Yasin UZUNOK Sakarya Üniversitesi Fizik Bölümü Tel:+90 264 2956192 Gsm: +90 554 7300135 -------------------------------------------------- _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
