EPW Forum

Dear EPW users, When I try to calculate the electron-phonon couplingconstant for CuSbTe2, negative phonon frequencies appear. However, the electronic band structure is correctly interpolated by wannier. The weird negative frequencies appear when "plotband = .true." is set to present the in...

In the original post, nqf1 =1000 was used as a converged value. If we calculate \lambda with degaussw 0.00005 and high kgrid, we will find the value of about 9. So, it has strange behaviour. It is worthwhile to note that there is a sharp peak in DOS at the VBM and I didn't obtain converged DOS despi...

Dear Dr. Ponce, Thanks for your reply. As you recommended, I did some calculations for the different values of degaussw such as 90, 70, 50, 30, 10 meV. Surprisingly by decreasing the value of degaussw, the value of the lambda diverges from 3 to 13 . That is, lambda is degaussw-dependent strikingly. ...

Dear EPW users, I am working on phosphorene nanoribbons which are passivated by H atoms. I have some problems with my calculations. 1) I tried to accurately optimize degaussw and nkf1(1D). I changed nkf1 from 12000 to 180000 kpoints for each value of degaussw. The results showed that nkf1=12000 is s...