EPW Forum

Hello：
Thanks guys, I have solved it first, my system is because the grid of 60 60 1 taken in the EPW calculation is not enough.
Sincerely

Hi dhw, I've switched units, and the two values are the same. You mean, with the same value of the smearing, the DOS with QE and EPW matched? If not, could you please share your scf,in, nscf.in (for the dos calculation using QE) and scf.in, nscf.in, and epw.in (for the epw calculation) files? Best ...

Hi, everyone Question supplement: In the above question, my calculations use the same broadening, and the bands fitted by epW call wannier90.x are consistent. And its Fermi energy level can basically match (as mentioned above), but it is not clear why the DOS output of EPW is inconsistent. Thanks ...

hpaudya1 wrote: ↑Thu Jan 13, 2022 10:04 pm Hi dhw,

Can you do a DOS calculation using QE with the mp smearing using the same smearing value from EPW? Please note that the unit of the smearing used in QE is Ry while in EPW is eV.

Best,
Hari Paudyal

Hi, Hari Paudyal
I've switched units, and the two values are the same.

hlee wrote: ↑Thu Jan 13, 2022 9:20 pm Dear dhw:

I don't know about your computational details, but you can obtain the different DOSs depending on your interpolation quality.

Sincerely,

H. Lee

Hi H. Lee
How do I do this interpolation? Use EPW interpolation?

Hello everyone, I have recently come across a problem, and I hope to get some advice from the seniors. The problem is that the density of states at the Fermi level calculated using the dos. X package does not agree with the epw.x output. The Fermi levels in epw.x calculations are not very different ...

Hello everyone: When I calculate the superconducting gap, that's where the computation stops shown below: temp( 1) = 2.00000 K Solve anisotropic Eliashberg equations on imaginary-axis Total number of frequency points nsiw( 1) = 923 Cutoff frequency wscut = 1.0000 Size of allocated memory per pool ...

Dear Hari ,
Ok, thank you.  The solution is very helpful to me.  But is there any advice to explain the problem from a theoretical perspective?
Sincerely,
dhwu

Hello everyone: I have a question to ask you, that is, how should I set the fsthick parameter when I calculate the electro-acoustic coupling and superconducting gap? Is it related to k + q = k' ? I can't find any analytical material about them.Have clear this knowledge elder broad to help answer it ...

Dear,H. Lee: I wonder if I can understand it this way? It is clear to me that the Fermi level of epW output depends on frequency band exclusion. So the Fermi levels I need to specify can only be specified if EPW outputs the correct Fermi levels (here the correct Fermi levels are roughly the same as ...