[QE-users] phonon calculation in QE

[Мищенко В.Н.]

Dear Paolo, 

thank you very much for your help, this stage of the simulation was
successful. 
I will continue to simulate graphenes further.

Best regards,

Valery Mishchenko 

Paolo Giannozzi пишет 29.09.2018 23:35:

> The file ends with the slash (/). Add a new line so that it ends with a new line.  
> 
> Paolo 
> 
> Il sab 29 set 2018 22:11 Мищенко В.Н. <mishchenko at bsuir.by> ha scritto: 
> 
>> Dear experts,
>> 
>> I would like to ask to help me in modeling of graphene in the QE. I had a problem when I tried running phonon calculation on my own computer with q2r.exe from QE-5.2.1 64bit-serial.exe for Windows. My computer is writing: "Error in routine q2r (1):
>> error reading input namelist. stopping ...".  Stages with the programs pw.exe (output file - GR.scf.out) and ph.exe (output file - GR.ph.out) were finished successfully. I send for the observing my files - GR.scf.in [1], GR.ph.in [2], GR.q2r.in [3], GR.q2r.out in my attachments. 
>> 
>> Best regards,
>> 
>> Valery Mishchenko,
>> 
>> Ass. of Prof., Belarussian State University of Information and Radio electronics
>> Minsk, Belarus.
>> 
>> 29.09.2018 _______________________________________________
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Links:
------
[1] http://GR.scf.in
[2] http://GR.ph.in
[3] http://GR.q2r.in
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