If I remember correctly, the ELF can be computed x with any
pseudopotential, but the contribution from the augmentation terms is not
computed and will be missing if you use ultrasoft pseudopotentials or paw
Paolo
On Wed, May 15, 2019 at 7:58 PM Максим Арсентьев
wrote:
> Dear users and
Dear users and developers,
Is it possible to get ELF using ultrasoft or nc pseudopotentials? Or I can
get it only with paw pseudopotentials?
Best wishes,
M.Yu. Arsentev,
ISC RAS, Institute of silicate chemistry of RAS,
St-Petersburg,
Russia
___
Quantum
