ABINIT Discussion Forums

Dear all:
is it possible for example to used pseudopotential with LDA approximation (pspnc) and ixc with GGA (ixc=11) ? , on other hand,
for group IV , if i used pspnc pseudopotential the elastic constant larger to the experimental but the phonon is similar to the experimental, if i used fhip pseudopotential the elastic constant similar to the experimental but the phonon smaller to the experimental, so what pseudopotential i used for calcul elastic constant and phonon for the group Iv ?

Dear Cheti2010,

It is possible to have ABINIT input ixc=11 (GGA-PBE) while the pseudopotential has not been obtained
using this exchange-correlation functional. However this is not consistent.
You should have look at M. Fuchs et al, Phys. Rev. B 57, 2134 (1998)

Best wishes,
X