[Pw_forum] Copper pseudopotential

Paolo Giannozzi giannozz at democritos.it
Fri Apr 9 10:47:56 CEST 2010

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

Paolo Giannozzi, Democritos and University of Udine, Italy

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