On Thu, 2014-01-02 at 21:31 +0000, Alex Granov wrote: > Re 186.207 Re.pbe-hgh.UPF
This is a norm-conserving pseudopotential. While very accurate, these pseudopotentials are very hard. A 30 Ry cutoff might be way too small. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
