EPW Forum

Dear Carla,

Thank you very much for your quick reply. So my final understanding is imode is based on the index of the branch with increasing frequency at every q-point not on the basis of character of branch.

Best wishes,
Dinesh

Hello Everyone, I am back to square one in this question. My understanding of this question was based on the following discussion in the forum http://epwforum.uk/viewtopic.php?f=3&p=1582 From the end of discussion I found that \nu is based on ranking not by actual mode. Then I come across this p...

Hello Everyone, Regarding boosting calculations, I thought restarting from interrupted run would also be helpful in future for me. So I tried to do that with the following flags restart = .true. epbwrite = .false. epbread = .false. epwwrite = .false. epwread = .true. kmaps = .true. wannierize = .fal...

Dear Dr. Ponc and Askarpour,

Thank you very much for your suggestion. It was a great help and calculation time has drastically reduced now.

Best wishes,

Hello Everyone,

I read another post exactly on the same question and got my answers.

Sorry for bothering you with repeated question.

Best wishes,
Dinesh

Hello Everyone, I want to sort out the contribution of optical and acoustical phonons in electron self-energy. So I have a question regarding the sorting of branch modes in Eq. (3) of Computer Physics Communications 209, 116 (2016). When code write linewidth.elself using verbosity=3 then the imode i...

Hello Everyone, I am using EPW v.4.1.0 with QE v.6.1. For the self energy calculations, one needs huge k/q grids. I am using 72 cores which are on few nodes, since we dont have more than 32 cores on a node ( I know that also slows down the calculations) for MoS2 and 300x300x1 k/q grids and the calcu...

Hello Everyone,

I want to inform that I have resolved the above interpolation error by increasing the coarse k-mesh to 36x36x1.

Best wishes,
Dinesh

Hello Carla,

I increased "search_shells" rom 24 to 48 it worked.
But interpolated band structure is not very good.

Best wishes,

Hello Everyone, I am trying to resolve the above interpolation problem by increasing coarse k-mesh and I see this error in EPW code "SVD found small singular value, Rejecting this shell and trying the next " I also increased the search_shells from 12 to 24 but still same error occurs. I se...