EPW Forum

Hi Mehmet, Can you confirm that the 'epw2r.out' is produced from 'epw2.in'? They do not look consistent to me, because the first temp is 20 k in your input and 160 k in the output. Also, I see "Read from file delta and znorm on imaginary-axis" in your output file, which is only possible if you have ...

Hi Mehmet,

Can you make sure you have 'scf.imag_aniso_160.00' file present? It looks like the code did not find the file or could not read it. If you do not have the file for 160 k, you can read (restart) from 140 k and calculate at 160 k.

Best,
Hari Paudyal

Hi yq_zhao,

The input file looks fine. I even double checked with epw-v5.3.1, it runs fine. I assume something is not correct in your scf and nscf calculation.
Could you tell us which version of the code are you using and provide your scf.in and nscf.in files?

Best,
Hari Paudyal

Hi yq_zhao, It looks like your epw calculation has not started properly because you did not do your scf and nscf calculations correctly, and is not the problem related to calculating superconducting properties as mentioned in the subject line. Please set up your scf.in, nscf.in and epw.in properly b...

Hi Valery, I think https://docs.epw-code.org/doc/Inputs.html#nqs will help you to understand the input flags. xq(1), xq(2), xq(3) are the phonon wavevectors of the coarse grid. Must be in the same order as prefix_q* listed in dvscf_dir. You can copy these from the beginning of the phonon output file...

Hi sahildani: If you want to plot Fermi surface, you can directly do it from the EPW now, which is newly implemented. For this, you can restart your calculation (if the first part is already done, you need .epmatwp, .ukk, .fmt, .kmap, .kgmap) with a flag 'fermi_plot = .true.'. This is done in band_p...

Hi Rundong,

Which version of the code are you using? I just ran the sic example with qe6.7 (epw5.3.1), and could not reproduce your error. It would easy to track if you could provide your output files.

Best,
Hari

Hi eliephys78, You have 'restart.fmt' file saved from the previous calculation. If this file exist, code reads and tries to restart considering an interrupted run. However in your case, you are increasing your meshes so this is not an interrupted run in writing 'ephmatX' files. You can delete 'resta...

Hi Elie, This is an expected error for the temp. greater than (close to) the Tc. You can see the WARNING in your output file as follows; WARNING WARNING WARNING The code may crash since tempsmax = XXX K is larger than Allen-Dynes Tc = YYY K I am not sure in which temp the code crashed, and what is t...

Hi Mehmet,

Yes, it had been updated before the release of qe-6.7, you should get the correct k-points in imag_aniso_gap_FS files with qe-6.7.

Best,
Hari