[Pw_forum] Copper pseudopotential

[Paolo Giannozzi]

Nay Lin wrote:

> i am getting the lattice constant around 6.93 where experimental value 
> is 6.82 bohr.

1.5% overestimate; quite typical for gradient-corrected functionals

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy