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
