Yes,
as I wrote, they are generate with the same input files as the official
SG15-ONCV pseudopotentials, but using a more recent version of the oncv
software that also writes the atomic wavefunctions in the file. These
wavefunctions are required to do a +U calculation, and can also improve
co
Ok I see. Thank you so much.
Best,
Hengxin
On Sun, Aug 20, 2017 at 5:16 PM, Lorenzo Paulatto <
lorenzo.paula...@impmc.upmc.fr> wrote:
> Yes,
>
> as I wrote, they are generate with the same input files as the official
> SG15-ONCV pseudopotentials, but using a more recent version of the oncv
> sof
Dear QE users and developers,
Kindly, I am interested in comparing the asymptotic behaviors of V_eff or
V_xc for different xc functionals using the "atomic" code.
I added a few lines at the end of "new_potential.f90" file in order to write
grid%r(i),vnew(i,1),vnew(i,2) in a file.
Since in a hybr
