error in running pp.py

[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

[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

[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)?

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

[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

[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 : )

[mahdi109]

Thank you very much.