EPW Forum

Hi Kevin,

Yes, for the fine mesh you are right.

Please keep the nk* = 6 (I see 12 in your last post).

Best,
Hari Paudyal

Hi sahildani,

What error did you get while running the python script? Can you give more detail on this so that I can see what's going on?

Best,
Hari Paudyal

Hi yq_zhao,

Please replace the following line in your epw.in, because you are missing ' at the end of the line. Because of which, code could not read the later input flags correctly.

wdata(6) = 'bands_plot = .true.'

This should work fine now.

Best,
Hari Paudyal

Hi yq_zhao,

Can you make sure that scf.in and nscf.in are correctly done? Please provide your scf.out and nscf.out files.

Best,
Hari Paudyal

Hi betterman58,

The plot in the website is for the fine k-mesh with 60x60x60, and fine q-mesh with 30x30x30. Please re-run your calculation with this mesh (also check the other parameters used if specified in the website), which should reproduce the plot.

Best,
Hari Paudyal

Hi ilias-serifi,

The number of .cube files means you have that many bands within the fsthick. You can plot these files with VESTA, if you need please watch the following video from time 6:10 to 8:40.
https://www.youtube.com/watch?v=7jZ-C5FNfgU

Best,
Hari Paudyal

Hi Zisen,

Both crystal and cartesian coordinates work in the EPWv5.3.1.

Best,
Hari

Hi Sahil Dani, For 2D systems, please check the page suggested by H. Lee at https://forum.epw-code.org/viewtopic.php?f=3&t=1311 Regarding your phonon question, nobody knows except you without input/output information. Try to provide some details on this, if you want. Also, I recommend you to follow ...

Hi Mehmet,

Yes you are right. Please be aware that some post processing files at this temperature are re-calculated, for example .cube files.

Happy EPWing,
Hari Paudyal

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 ...