EPW Forum

Hi everyone: I am performing EPW calculations to determine the electron-phonon coupling matrix elements of a (10, 0) single-walled carbon nanotube (SWCNT). Given that the SWCNT is a one-dimensional material, I followed the scheme mentioned in the Wannier90 official documentation ((https://wannier90 ...

Dear Sabya, This is my SCF.in: &CONTROL calculation = 'scf' prefix = 'graphene' verbosity = 'high' tstress = .true. tprnfor = .true. outdir = './tmp' pseudo_dir = '../pseudo', / &SYSTEM ibrav = 4 celldm(1)=4.660181 celldm(3)=8.515603 nat = 4 ntyp = 1 nbnd = 30 ecutwfc = 120.0 occupations = 'smearing ...

Dear Shashi,

Here is my nscf.in, nscf.out, epw.in and epw.out files.

I interrupted the calculation of epw because I noticed that the Fermi energy was completely wrong, which led to the final part of the output being truncated.

Regards,
Apricity

Dear all, I tried to calculate the Electron phonon coupling matrix of AB-Stacked Bilayer Graphene (have four C atoms). But, I observed a significant discrepancy between the Fermi energy level obtained from EPW calculations and the one derived from the SCF calculations. The Fermi energy level for AB ...