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error in running pp.py 
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Joined: Sat Mar 16, 2019 5:08 pm
Posts: 4
University: NRTC
Post error in running pp.py
Dear all,

I am trying to calculate the superconducting properties of fcc Pb by solving the
isotropic Migdal-Eliashberg equations.

This is the error which I face when I run pp.py.
Code:
python pp.py
  File "pp.py", line 17
    print '{0}.dyn{1} to {0}.dyn_q{1}.xml'.format(prefix,idyn)
                                         ^
SyntaxError: invalid syntax


I cannot figure out where it is going wrong. I just follow the examples of Pb and made no modifications.

Best regards,
Mahdi


Sat Mar 16, 2019 8:59 pm
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Joined: Wed Jan 13, 2016 7:25 pm
Posts: 566
University: Oxford
Post Re: error in running pp.py
Dear Mahdi,

Can you try running the Pb test from QE/test-suite/epw_soc

This should be working.
Let us know if this solves your problem.

Best wishes,
Samuel

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Department of Materials
University of Oxford
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Oxford OX1 3PH, UK


Tue Mar 19, 2019 11:51 pm
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Joined: Sat Mar 16, 2019 5:08 pm
Posts: 4
University: NRTC
Post Re: error in running pp.py
ِDear Samuel,

Thank you so much. It worked. But I am still having problems with "epw_super" (MgB2) example.
when I run pp.py, I get the following error:

Code:
cp: cannot stat ‘MgB2.fc’: No such file or directory


as I know, ‘MgB2.fc’ is the result of q2r.x, So, should I perform q2r calculation for this example?

the next problem happens when I run "epw.x". The Temperature has been set as follow In the input files:
Code:
  nstemp   = 1
  tempsmin = 15.00
  tempsmax = 20.00


but the calculations just provides outputs for temperature 15.00, for example MgB2.imag_iso_015.00.
I got confused, what happen for the output files of other temperatures (16.00, 17,00, 18.00, 19.00 and 20.00)?







sponce wrote:
Dear Mahdi,

Can you try running the Pb test from QE/test-suite/epw_soc

This should be working.
Let us know if this solves your problem.

Best wishes,
Samuel


Mon Apr 01, 2019 10:51 pm
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Joined: Fri Jan 22, 2016 6:48 pm
Posts: 111
University: SUNY-Binghamton
Post Re: error in running pp.py
Hi Mahdi,

By setting nstemp = 1, you are telling the code to calculate the superconducting properties at a single temperature, which is tempsmin = 15. If you set nstemp =2, then you will calculate at 15 and 20 K if tempsmin = 15.00 and tempsmax = 20.00. If you want more temperatures than you need to increase nstemp. To understand the meaning of these variables better, you can also take a look at the description of the input variables provided on the EPW website.

Best,
Roxana

_________________
Roxana Margine
Assistant Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
PO Box 6000
Binghamton, NY 13902-6000


Tue Apr 02, 2019 12:42 pm
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Joined: Thu Nov 29, 2018 9:02 am
Posts: 21
University: Institute of Physics
Post Re: error in running pp.py
Hi,I also meet with this problem when I running pp.py.
In my case, it is because I calculate phonon eigenvalue in different q point separately,
So the prefix.dyn file got four more line to describe crystal vector. Deleting that four line in every prefix.dyn or add four f.readline() in pp.py solved my problem
Hope this will help : )


Tue Apr 02, 2019 2:36 pm
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Joined: Sat Mar 16, 2019 5:08 pm
Posts: 4
University: NRTC
Post Re: error in running pp.py
Thank you very much.


Sun Apr 07, 2019 11:12 am
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