[Pw_forum] PPs of Aluminum using ld1 code(including 11 valence electrons)

[Paolo Giannozzi]

On Oct 26, 2009, at 17:12 , Jiayu Dai wrote:

> 2S  1  0  2.00  0.00  2.00  2.00
> 2P  2  1  6.00  0.00  2.00  2.00

Rc=2a.u. for 2s and 2p is way too large. The peak of 2s and 2p
orbitals is around 0.7 a.u.

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222