On Jul 26, 2011, at 21:29 , Vi Vo wrote: > In LDA+U calculation I also see these warning, so what will be the > risk or unreliability.
there is no risk, as long as bound atomic states are present in the PP files. I guess that the "zero-norm" states that are still present in some PP files are unbound states used uring thr generation of the PP. They do not affect the final results in any way. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
