Search found 17 matches

by dhw
Sat Mar 19, 2022 1:34 am
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Re: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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
by dhw
Sun Jan 16, 2022 7:06 am
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Re: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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,...
by dhw
Fri Jan 14, 2022 2:43 pm
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Re: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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,ev...
by dhw
Fri Jan 14, 2022 2:40 pm
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Re: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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.
by dhw
Fri Jan 14, 2022 2:37 pm
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Re: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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?
by dhw
Wed Jan 12, 2022 1:21 pm
Forum: Electron-phonon
Topic: Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?
Replies: 10
Views: 39092

Why is the density of states at Fermi level output by EPW inconsistent with that calculated by dos.x?

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....
by dhw
Fri Oct 29, 2021 3:32 am
Forum: Superconductivity
Topic: Solve anisotropic Eliashberg equations on imaginary-axis
Replies: 1
Views: 26181

Solve anisotropic Eliashberg equations on imaginary-axis

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: ~...
by dhw
Wed Oct 27, 2021 2:02 am
Forum: Electron-phonon
Topic: How to set parameter “fsthick” ?
Replies: 2
Views: 19112

Re: How to set parameter “fsthick” ?

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
by dhw
Sun Oct 24, 2021 3:38 am
Forum: Electron-phonon
Topic: How to set parameter “fsthick” ?
Replies: 2
Views: 19112

How to set parameter “fsthick” ?

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?...
by dhw
Sun Oct 24, 2021 3:09 am
Forum: Electron-phonon
Topic: Can Fermi levels be specified to calculate a2F(superconducting gap)
Replies: 6
Views: 24003

Re: Can Fermi levels be specified to calculate a2F(superconducting gap)

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 ...