Yambo Community Forum

Dear developers,

I recently tried to read the QP energies from a G0W0 calculation in the electron-phonon calculation for the Green's function by setting GfnQPdb= "E < SAVE/ndb.QP".
However, Yambo_4.2.1 does not read the G0W0 QP energies, and keeps calculating with the Kohn-Sham energies.

I like to study the effect of electron-electron correlation on the electron-phonon band gap corrections by setting GfnQPdb= "E < SAVE/ndb.QP"; however this is somehow not possible.

Best wishes,
Martin

Dear Martin,

I have tried to read the ndb.QP from a el-ph calculations and they work. Can you try to write "E < ./SAVE/ndb.QP"?

Cheers,

Alejandro

Dear Alejandro,

my problem is that the code crashes once I try to read the G0W0 QP energies in the el-ph calculation.
The code reads the QP energies correctly by GfnQPdb= "E < SAVE/ndb.QP" or GfnQPdb= "E < ./SAVE/ndb.QP"; however it stops to further calculate the el-ph gap corrections.

There could be a mismatch between the GW code and the EL-PH code in Yambo.

What I like to know is the effect of electron-electron correlation on the el-ph gap correction; what you did I think is the effect of el-ph on the electron-electron gap correction (here I have no problem).
However it could be possible that electron-electron effect on the electron-phonon or electron-phonon effect on the electron electron is symmetric! I liked to have a check on this.

Best wishes,
Martin

Dear Martin,

I think I have reproduced the error. It is a segmentation fault after reading the database. I will report the bug and we will work on it.

Cheers,

Alejandro.

Dear Alejandro,

Thank you very much, it would be great to solve this issue.

Best wishes,
Martin

Dear Developers,

I just wanted to ask whether the reported segmentation fault bug above is meanwhile fixed?

Thanks and best wishes,
Martin