On Nov 17, 2011, at 22:21 , Jia Chen wrote: > tm=.true. > [...] As far as I know, tm=.true. means the pseudopotential > is in Troullier-Martins form.
no, it means that the Troullier-Martins pseudization is used (instead of the Rabe-Rappe-Kaxiras-Joannopoulos pseudization) but not that the pseudopotential is generatedin the semi-local form (pseudotype=1) 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
