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error in running pp.py
Posted: Sat Mar 16, 2019 8:59 pm
by mahdi109
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: Select all
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
Re: error in running pp.py
Posted: Tue Mar 19, 2019 11:51 pm
by sponce
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
Re: error in running pp.py
Posted: Mon Apr 01, 2019 10:51 pm
by mahdi109
?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: Select all
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: Select all
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
Re: error in running pp.py
Posted: Tue Apr 02, 2019 12:42 pm
by roxana
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
Re: error in running pp.py
Posted: Tue Apr 02, 2019 2:36 pm
by liu xinbao
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 : )
Re: error in running pp.py
Posted: Sun Apr 07, 2019 11:12 am
by mahdi109
Thank you very much.