[Q-e-developers] Error in routine phq_readin by PHonon/example/tetra_example/

[Mitsuaki Kawamura]

Dear Dr. Hernández

I guess that you are using v6.1 and built QE without new XML routine.
https://www.mail-archive.com/pw_forum@pwscf.org/msg31307.html
The tetrahedron function for DFPT works only in conjunction with the new XML.
Please build QE as
$ ./configure --enable-xml
$ make pw ph

I am sorry to make your 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
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From: q-e-developers-bounces at qe-forge.org [mailto:q-e-developers-bounces at qe-forge.org] On Behalf Of Norge Cruz Hernandez
Sent: Wednesday, October 18, 2017 12:06 AM
To: q-e-developers at qe-forge.org
Subject: [Q-e-developers] Error in routine phq_readin by PHonon/example/tetra_example/

Hi,
I am running the example PHonon/example/tetra_example/.
The command:
#> pw.x -in al.scf.in > al.scf.out
It was ok. pw.x finished in a good way.
The command:
#> ph.x -in al.ph.in > al.ph.out
It was bad. It finished with the error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine phq_readin (1):
DFPT with the Blochl correction is not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
So, what can I do?
Is there any other example where the Tc is calculated?
Thanks!!!
-- 
Prof. Norge Cruz Hernández
Dpto. Física Aplicada I
Escuela Politécnica Superior
Universidad de Sevilla
calle: Virgen de África 7,
Sevilla, Spain, E-41011
Phone number:
+34 - 954 55 01 67
+34 - 954 55 99 70
Fax number:
+34 - 954 55 43 41
Web: http://personal.us.es/norge/