EPW Forum

Dear Dr. Sponce, First of all thank you very much for your super quick reply. I highly appreciate this. I have been converging calculations w.r.t. to fine meshes as well, so in the input file pasted above is a copy paste error. labels written on the picture are fine, its 100x100 k/q mesh there. I wi...

Hello Everyone, I am trying to calculate e-ph scattering rates for 1L MoS2. I am checking the convergence of the calculations w.r.t. coarse k/q meshes. I could get correct wannier band structure in both the cases. Just to make sure everything works well I changed the coarse meshes keeping the fine m...

Dear Dr. Samuel Ponc,

Thank you very much for your reply. Could you please comment on the humps appearing in the Imaginary part of self-energy?


Best wishes,

Hello Everyone,

Another quick question that imode follows the same order as quantumespresso?

best wishes,

Hello Everyone, I am working on electron-phonon scattering rates in graphene. I am trying to converge calculation wrt k/q grids. I see some strange behaviors when increasing k/q very high. I am using EPW v.4.1.0 and here is my input file 1;2305;0c-- &inputepw prefix = 'gr' amass(1) = 12.01078 ou...

Dear Dr. S. Ponce,

Thank you very much for your quick reply.
Now I understand that Eq. 3 in much better way.
Enjoy your weekend.


Best wishes,
Dinesh
Uni. of Konstanz

Dear Dr. Sponce, Thank you very much for your reply. I have further questions from the same paper of yours mentioned in the last post. 1. in Eq. 3 on R.H.S. there is no term with index (n,k) then how does sigma depends on (n,k)? is it typo with ef in the denominator? 2. As the sigma depends upon the...

Hello Everyone, I have some questions from S. Ponc et al, Comput. Phys. Commun. 209, 116 (2016), 1. In Eq. (3) which parameter takes care of summation over m, is it fsthick? 2. I calculate phonon frequency using QE code and from my understanding its always at 0K and in Eq. 3 there is a temperature d...

Hello Samuel,

Okay, I will check with the updated version.

I comment the windows because now I want to check the phonon interpolation. wannier_functions= num_bands, so that in case I am spanning whole energy range.

Best wishes,
Dinesh

Hello Dr. Samuel, Thank you very much for your reply. I solved the problem of band interpolation, the choice of energy window was crucial. I know exclusion of 1 band wont be helpful, as I mentioned before I was trying the calculations on graphene just to make sure what I do is correct. As far as pro...