EPW Forum

Sorry to keep bothering you, but I am still having difficulties. I am getting reasonable values of Tc, 3.5 K to 4.2 K, however the lambda values at the end are too large: lambda : 2.5557500 lambda_tr : 2.3351044 Estimated Allen-Dynes Tc logavg = 0.0001387 l_a2F = 2.7644099 mu = 0.10 Tc = 3 ...

Then I am a bit confused about the documentation. What parameter should I change to produce something along the lines of Table II in 'Electron-phonon interaction using Wannier functions'?

I am attempting to converge the calculation of Tc for Pb following the EPW papers. When I increase the phonon smearing with degaussq, here set to 50 meV, the values of lambda become large (2.55575) and the values of Tc too small (0.045222 K). Do you have any suggestions. Thank you. -- &inputepw ...

This has resolved the issue. Thank you. When I change the value of nqf1, nqf2, nqf3, epw stops running with: Dipole matrix elements calculated Calculating kmap and kgmap Progress kmap: ######################################## Progress kgmap: ######################################## kmaps : 26.07s ...

The pp.py script in the SOC examples does not copy any XML format files. Where would the correct dyn files be found and to what should they be renamed?

I am attempting to perform the calculation of Tc in Pb with spin orbit coupling using EPW v.4.1.0. Below is my input file for epw: -- &inputepw prefix = 'pb' amass(1) = 207.2 outdir = './' elph = .true. kmaps = .false. epbwrite = .true. epbread = .false. epwwrite = .true. epwread = .false. nbndsub ...