EPW Forum

Dear all, I am running EPW-4.3 with QE-6.2.1. Once the "amn" files are being calculated , the code stops with the error: "AMN calculated MMN k points = 576 in 512 pools 1 of 2 on ionode 2 of 2 on ionode ==================================================================================...

Thanks for your reply. Sorry but I have a probably trivial question: I have read somewhere on the QE forum that \lambda (the electron phonon coupling) only exists for metals and it can only be calcuated for metals for QE. Then how are we able to calculate it in EPW fpr graphene and other semiconduct...

Dear Samuel,

Thank you for your reply. One more question:

Regarding the convergence , does it have to be with respect to degaussw and fsthick? or just by degaussw? How to determine the value of fsthick for each system?

regards

Dear All, I have been testing the convergence of lambda and Tc for Al as an exercice changing the kf grid for a fixed qf grid: I chose: nk1=6 nk2=6 nk3 =6 nq1=12 nq2=12 nq3=12 nqf1=15 nqf2=15 nqf3=15 with changing nkf grids as 30x30x30, 40x40x40 and 50x50x50 but i still didnt get convergence (for di...

Dear Samuel,

Thanks for your reply. The mistake was mine: I executed "make epw" in the EPW instead of the qe-6.1 directory which was the cause of the error. It is fixed now.

Regards

Dear all, i am trying to compile epw to produce the executable epw.x . I have successfully compiled qe-6.1 (from EPW/src directory) and all executables (pw.x, ph.x,.....) were produced. However when I execute "make epw", the compilation starts but thn stops with the following error: mpiifo...

Thanks for your reply.

Concerning the wannerization, is it sufficient to check that the electronic bands obtained using the Wannier functions coincide with those obtained via DFT? Is this the criterion to check that the wannerization is correct? If not, what is the criteria?

Thanks again

Dear all,

I am interested n performing electron phonon calculations using EPW. How can I know that the value I got has indeed converged? In relation to what parameters IN THE NEW VERSION OF EPW (EPW 4.1) shall I check convergence.

Thank you in advance

University of Rondonia
Brazil

Dear samuel,

Thanks for your reply.

Regards

Dear code developers,

As I understand it, the code complains when using PBE functionals and works pretty well with LDA ones. Will the Septmber 2016 release target and fix this issue?

Thanks in advance