Abstract
Transferability of the first-principle pseudopotentials istested for a pseudoatom embedded in a jellium. The Hamann'spseudopotential (Phys. Rev. B40 (1989) 2980) and its separable formare analyzed in this transferability test. Elements examined in thispaper are classified into two; the first class is elements in whicheven pseudopotential without core-correction can assure sufficienttransferability, e.g. Al, Si; the second one is elements in which onlypsedopotential with core-correction can assure sufficienttransferability, e.g. alkali metal elements. The neutral sphere radiusis the most important parameter for the transferability which issensibly dependent upon the charge density parameter rs of thejellium. Once the neutral sphere radius is smaller than the coreradius of the pseudopotential, sufficient transferability cannotrevive even with the core-correction in a pseudoatom-in-jellium model.
