Screened exchange
Posted: Fri Jun 17, 2011 3:10 pm
I would like to see how well straightforward screened exchange works (i.e. Hartree-Fock with 1/r replaced with exdp(-k r)/r).
abinit will do screened exchange with gwcaltyp = 26. I assume this uses local approximations to correct the screened exchange. Can anyone confirm (or deny) this?
If it does include them, is there any way to switch them off?
abinit will do screened exchange with gwcaltyp = 26. I assume this uses local approximations to correct the screened exchange. Can anyone confirm (or deny) this?
If it does include them, is there any way to switch them off?