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
question about filqf
Moderator: stiwari
Re: question about filqf
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
"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
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York