EPW Forum

Dear Hari,

Thanks for the references. I will have a look.

Regards

Dear All, How is the el-ph coupling as a function of frequency (lamb(w)) calculated manually? Let us say we have how the a2F varies with frequency and we want to calculate the lamb(w) at w=w0. Is it simply the sum of 2*a2F(w)/w up to w=w0 divided by the number of frequency points up to w0? Does it ...

Dear Dr. Lee, Thanks for your message. I have checked this post last year. However what got me confused is the flag system_2d=.true. in the input (Documentation) "system_2d Default .false. Description If .true. the system is two-dimensional (vaccum is in z-direction) and the k and q meshes are ...

Dear Drs. Lee and Roxana, Thanks for your messages. Dr. Roxana, i will check that. Dr. Lee, indeed the exclude bands flag should have been 1,2,17-40. Regarding the system_2d flag, I have been using it to compute EPW for some 2D structures I am working on.. I haven't got any errors. So I thought ...

Dear, I am still having problems calculating the superconducting gap and Tc using The Eliashberg formalism. From the McMillan Dynes formula , I expect the superconducting temperature to be ~2.9K which was estimated using EPW. I have run the isotropic Eliashberg calculation for temps(1)=0.9 and ...

Thanks a lot for the reply.

I will try and see what happens

Regards

Dear all, How do we restart a calculation to solve the Eliashberg equations for the superconducting gap for finer kf and qf grids so that the code wouldn't start all over again from scratch? i tried setting: elph = .true. kmaps = .true. epbwrite = .false. epbread = .false. epwwrite = .false. epwread ...

Dear Dr. Lee,

Thanks for your response. It was indeed a memory problem.

Regards

Dear all, I am trying to calculate the superconducting gap of a system. EPW stops after: Computes the analytic long-range interaction for polar materials [lpolar] Use zone-centred Wigner-Seitz cells Number of WS vectors for electrons 1333 Number of WS vectors for phonons 157 Number of WS vectors for ...

I have increased the first value of the temperature from 0.3K to 0.9 K and it worked.

I was able to resolve the issue.

Thanks for your help