[Pw_forum] wavefunction normalization

[Paolo Giannozzi]

On Wed, 2013-06-12 at 13:23 +1000, Hongze Xia wrote:

> As far as I know,

> psi(r) = \sum_k c(n,k)*exp(-i r*k)
> 
> \sum_n c*(n,k)*c(n,k) = 1

this is true only for norm-conserving pseudopotentials

P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222