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

[Norge Cruz Hernández]

Hi, 

In the PHonon/tetra_example it is needed to run the alpha2f.x exe. But,
where is the alpha2f.x exe? 

By making: 

#> make all 

The alpha2f.x is not generated. 

What can I do? 

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/ 

El 18/10/2017 05:15, Mitsuaki Kawamura escribió:

> 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
> ------------------------------------------------------
> 
> 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!!!
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