EPW Forum

Dear Carla,

Thank you so much for your fast reply.

Best,
Zahra

Dear EPW developers and users, I have a question regarding the piezoelectric interactions which are coupled to acoustic phonons. I wish to know whether piezoelectric interactions are present in wannier interpolation or we should treat the material as polar by setting 'lpolar' to true till we can hav...

Dear EPW developers, I have a question regarding the definition of the mass term which appears in the electron-phonon coupling matrix, Eq.1 from paper m I found in the code that "we take into account the zero-point sqrt(hbar/2M\omega) with hbar = 1 and M already contained in the eigenmodes"...

Hi,

Thank you so much.
But isn't it right that one should have Coulomb truncation in QE at first place to have it then in EPW? As far as I know the most important part of the el-ph interaction is calculated within QE (i.e. dvscf files)

Best Regards,
Zahra

Dear all, In the following paper it is stated that g (el-ph matrix elements) are separated into short- and long-range contributions where then the short-range contribution is dealt with standard wannier interpolation and both contributions are added up after interpolation at arbitrary k and q points...

Hi Samuel,

I see. Thank you very much.

Regards,
Zahra

Hi, I've noticed that the variable wf(imode,iq) which stands for phonon frequencies mixes the phonon bands as they crosses each other. It seems that at every q point in the reciprocal lattice the phonon bands are counted and labeled as from smallest value to largest one. This then means that there i...

Hi Roxana,

Thanks.

Best,
Zahra

Dear all, K and q meshes for fine grid can be introduced via the flag 'filkf' and 'filqf'. I noticed that these meshes were all in crystal coordinates in examples and tests. Can I issue them otherwise? For example Cartesian coordinates? I tested once and received no errors but need to be sure that e...

Hi Samuel,

Thanks a lot.

Regards,
Zahra