EPW Forum

Hi,

If you know where the Fermi level should be located you can provided in the input file through the flag fermi_energy.

Best,
Roxana

Hi,

Indeed, velocity matrix elements are not used in electron_self_energy calculations, but for USPP the velocity matrix elements should always be calculated beyond the local approximation. This why vme needs to be true. We will change this as default in the code.

Best,
Roxana

Hi, If you refer to the top figure, this is simply a two dimensional plot that was done in Origin but can be done with any other program such as xmgrace or gnuplot. No script is required, you just plot one column vs. the other. The bottom figure was also done in Origin without any script, just a two...

Hi, Yes, any of the 6 bands with indexes between ibndmin and ibndmax can be within the Fermi window at some k-point. The bands can interchange, but the code doesn't take this into account. At every k-point, the bands are ordered by increasing energy value. For the results of the superconducting gap ...

Hi, There aren't "Wannier bands", since the Wannier space is a real space representation. What happens in Wannier90 (and similarly in EPW) one goes from k-space (the coarse mesh) to Wannier representation (real space) and then back to the k-space (this final k-space can by a uniform or ran...

Hi,


Please plot the Wannier band structure obtained with EPW on top of the band structure obtained with QE. Can you also provide a snapshot of the epw.out file that shows the information regarding min and max indexes of the bands within the Fermi window?

Best,
Roxana

Hi, I have used the input files you provided for epw and I had obtain the same Wannier functions that you listed with the Wannier90 code used as standalone. This is the result with EPW after 2000 iterations (below are snapshots from epw.out and zrs2.wout of the same epw run): =======================...

Can you provide the exact input you are using with EPW?

Hi, I don't know what patch you are talking about. The wannier90 code should be automatically installed when you compile EPW. Have you tried using clone? =========================== git clone m git clone git@gitlab.com:QEF/q-e.git (if https doesn't work) cd q-e git checkout develop ./configure make ...

Hi,

You can try to use either the ONCV or the dojo pseudopotentials from the following links

http://www.quantum-simulation.org/potentials/sg15_oncv/

http://www.pseudo-dojo.org/

Best,
Roxana