Perdew-Zunger LDA Pseudopotentials

LDA Pseudopotentials are available for the highlighted elements:

Click here to download pseudopotential files

H He
Li Be B C N O F Ne
Na Mg Al Si P S Cl Ar
K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr
Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Xe
Cs Ba * Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn
Fr Ra ** Rf Db Sg Bh Hs Mt Ds Rg Cn
*Lanthanoids La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Ee Tm Yb Lu
**Actinoids Ac Th Pa U Np Pu Am Cm Bk Cf Es Fm Md No Lr

The pseudopotentials were generated using the OPIUM code. Experimental data for comparison are taken from Kittel, Charles, “Introduction to Solid State Physics”, 7th edition, Wiley, New York, 1996

Latest versions are the ones with the highest number index. These versions are the most refined.

Go to PBEGGA PSP database