Read corrected energies: eig_read
Posted: Mon Mar 04, 2019 7:02 am
Dear all,
I am trying to figure out how to use GW-corrected eigenvalues for transport calculations as in arxiv:1803.05462v1
I am struggling in particular to figure out how to create a k-mesh that is suitable for EPW and YAMBO. For EPW I usually use wannier90's kmesh.pl utility but that mesh is not compatible with yambo, where I usually use PWSCF's "automatic" option to generate k-grids and force_symmorphic=.true.
So I guess my very simple question would be how to generate or interpolate the GW values on a grid that also works for EPW?
Any hint is appreciated!
Thanks in advance,
Chris
I am trying to figure out how to use GW-corrected eigenvalues for transport calculations as in arxiv:1803.05462v1
I am struggling in particular to figure out how to create a k-mesh that is suitable for EPW and YAMBO. For EPW I usually use wannier90's kmesh.pl utility but that mesh is not compatible with yambo, where I usually use PWSCF's "automatic" option to generate k-grids and force_symmorphic=.true.
So I guess my very simple question would be how to generate or interpolate the GW values on a grid that also works for EPW?
Any hint is appreciated!
Thanks in advance,
Chris