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. <[email protected]> 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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