EPW Forum

Dear edward: For the moment, we don't have any plan to add it. One of the reasons to print out |g| instead of g is to confirm the Wannier-interpolated electron-phonon matrix elements are comparable to the corresponding values from the direct DFPT calculations. As you know well, g is not a gauge-inva...

Dear Ray: First, you need to remove the following two lines in your epw.in dis_win_min = -20d0 dis_win_max = 15d0 , and instead add the following line to your epw.in. bands_skipped = 'exclude_bands = 1-16' Then, you need to change (1) the number of Wannier functions and (2) the projections according...

Dear ray: I guess your issue is related to the band manifold for Wannierization; I think you need to exclude some of bands for Wannierization. I guess you are considering 46 bands in nscf calculation. Could you show me the eigenvalues of these 46 bands at one k point (for example, Gamma point)? You ...

Dear ray: Fermi energy coarse grid = 9.372692 eV Fermi energy is calculated from the fine k-mesh: Ef = 13.892011 eV Warning: check if difference with Fermi level fine grid makes sense I guess that your trouble is related to the large difference in the Fermi energy between coarse and find grids. Coul...

Dear wuyu:

Could you provide us with your full epw.in and epw.out?

Sincerely,

H. Lee

Dear hellolori:

First I would suggest you to remove the following line in your nscf.in:

nosym=.true.

If you still encounter the error with this change, please provide me with the full EPW output.

Sincerely,

H. Lee

Dear sabrine:

I am now doing a calculation of epsilon .x

Regarding epsilon.x, you need to ask your question on the quantum-espresso users forum (https://www.quantum-espresso.org/users-forum/).

Sincerely,

H. Lee

Dear ray:

It seems that you have troubles when restarting the calculations.
Could you confirm that (1) you are restarting calculations and (2) you have all necessary files for restart?

Sincerely,

H. Lee

Dear Hao Zhang: (from your 5-epw2.out) 2 Sym.Ops. (with q -> -q+G ) Progress kgmap: ######################################## kmaps : 0.42s CPU 7.76s WALL ( 1 calls) Symmetries of Bravais lattice: 24 Symmetries of crystal: 12 The two symmetry informations above are not consistent. And the solution is...

Dear Reza Vatan:

Could you show me your epw.in?

Sincerely,

H. Lee