GW corrections for wannier90.x
Posted: Mon Mar 25, 2024 6:09 pm
Dear yambo developers,
I would like to include GW corrections from yambo into a wannier90.x calculation. I know that the wannier90 code includes a tutorial for doing it, but reading it I understood that one should start GW calculations from scratch. Nevertheless, what I want to do is to profit from a previous GW calculation in a 30x30x1 k-mesh for a wannier90 calculation in a 12x12x1 k-mesh by using an interpolation and without having to recalculate QP corrections from scratch. So, is it possible to do it? As far as I have read, one needs a gw.unsorted.eig file with the QP corrections that could be constructed with ypp by interpolation from a previous GW calculation and then use the wannier utility gw2wannier90.py, is not it? I am wondering if the file that one constructs by interpolation with ypp is the same as the one that is calculated in the example23. In case I am missing something, please feel free to advice me.
Thank you in advance,
Peio.
I would like to include GW corrections from yambo into a wannier90.x calculation. I know that the wannier90 code includes a tutorial for doing it, but reading it I understood that one should start GW calculations from scratch. Nevertheless, what I want to do is to profit from a previous GW calculation in a 30x30x1 k-mesh for a wannier90 calculation in a 12x12x1 k-mesh by using an interpolation and without having to recalculate QP corrections from scratch. So, is it possible to do it? As far as I have read, one needs a gw.unsorted.eig file with the QP corrections that could be constructed with ypp by interpolation from a previous GW calculation and then use the wannier utility gw2wannier90.py, is not it? I am wondering if the file that one constructs by interpolation with ypp is the same as the one that is calculated in the example23. In case I am missing something, please feel free to advice me.
Thank you in advance,
Peio.