Hi,
I would like to know exactly which "version" of HSE is implemented on
Quantum-ESPRESSO.
In the original HSE work a value for the screening parameter w is used, but on
an errata another value is given.
In recent publications they are usually called HSE03 (which uses
w_{HF}=0.15/sqrt(2) and w_{PBE}=0.15 x 2^(1/3) ) and HSE06
(w_{HF}=w_{PBE}=0.15).
Looking at the code insde funct.f90 I found "screening_parameter = 0.106",
which is the value of w_{HF} used on HSE03, which induces me to think that it's
this "version" that is implemented.
I couldn't find though if this value is used also for w_{PBE} (which would be a
mistake) or not (and w_{PBE} is corrected at a later point in calculation).
Can someone give me some info?
Thanks,
Leonardo Jorge
PhD Student
Instituto de F?sica, Universidade de S?o Paulo, Brazil
