ypp_ph and different q/k grids

[AntimoMarrazzo]

Dear all,

I am trying to compute corrections due to the electron-phonon coupling by following the tutorial at http://www.yambo-code.org/wiki/index.ph ... n_Coupling .
The silicon example runs fine, but when I did another material and tried to use different k/q grids I could not read the el-ph database produced by QE. I am running version 5.0.0, as precompiled on Marconi100.

The error I get is "Missing k/q scattering database yambo", and by looking at the source code it seems triggered by an allocated(qindx_B) being "false" in ELPH_databases.F
If I remove the flag GkkpExpand, then there's no error stopping the calculation but indeed also no electron phonon db is produced in the SAVE folder, also the log shows that no electron phonon is being read and the Q/K grids are identical (they should not).

The tutorial warns that this functionality is available in yambo 5.x, so I thought 5.0.0 was fine but maybe I need to use a more recent patch?

Thanks!

Antimo

[claudio]

Dear Antimo

yes, this function is available only in version 5.1 etc... I will check when it will be out,
otherwise I can check if it possible to make a patch for the 5.0 and send it to you

best
Claudio