EPW Forum

Dear developers

I completed resistivity calculation of Aluminum using new epw version 5.
I have used q grid 5x5x5, k-grid =10x10x10, nkf=10x10x10, nqf=10x10x10.

But the resistivity is too high than the expected values. My wannierization is very good. So if I am correct, I believe ( as I have went through your instructions in previous posts)I have to play with mainly k and q meshes and also degaussq and degaussw parameters to get a meaningful answers. Please correct me if I am wrong.

I have one more question about "filqf" parameter. How the path.dat and the "nk" (k-grid) differs and affect to the final answer?

Thank you

Inoka

Dear Inoke,

"filqf" and "filkf" are used to provide the q- and k-meshes along specific directions as for phonon dispersion or band structure calculations.

nk1, nk2, nk3 - provides points on a grid

For more information please take a look at http://epw.org.uk/Documentation/Inputs

Best,
Roxana