Dear All,
I want to study how the LF effect affects the band-structure of a material, is there any way to switch off the local-field effect in GW
calculation?
Thanks in advance!
Yuanxun
how to switch off the local-field effect in GW calculation?
Moderators: maryam.azizi, bruneval
Re: how to switch off the local-field effect in GW calculati
Sorry for the reply 6 months after the post. I haven't been using abinit for a while so I haven't been looking at the forums. I wrote a short paper on the local-field effects in half metals using GW. I simply deleted the off-diagonal terms (G != G') of the susceptibility file using a matlab program. I haven't come up with a simple way to switch them off without making many modifications to the code.