ABINIT Discussion Forums

Dear all: I am new with ab initio pseudo potential method. In order to study the pressure effect of the electronic properties of CaS in the B1 phase and B2 phase. I am using the GGA (PBE) HGH pseudo potential in the Abinit site. The question is from pseudo potential: When employing these pseudo pote...

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 pseudo...