ghaderyan at gmail.com
Mon Feb 11 19:41:08 CET 2008
thanks dear Axel for quickly answer (like always)
where can I found that pseudopotentials?
and I think for study phonon structure NC-pp are better because we use B-O
approximation and studied core region with NC-pp are good results ,
and for exchange correlation energy for heavy atoms, LDA are better because
the effective of core on valance region is weak and the orbitals are close
recovery in valance region,
is these true?
and when l localized f in valance region then I have to use US-pp and I
think the result for phonon structure are not true but the result for
electronic structure (lattice parameter) are true !
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