  In this study a computational method of the multi-reference VCA(virtual
crystal approximation) pseudo-potential generation is presented. This is an
extension of that proposed Ramer and Rappe [J. Phys. Chem. Sol. 61, 315(2000)],
the scheme of which is in want of the explicit incorporation of semi-core
states. To compensate this drawback, a kind of fine tuning applied to the
non-multi-reference VCA pseudo-potential; the form of the pseudo-potential is
slightly modified within the cut-off radius in order that the agreements
between the pseudo-potential and all-electron calculations are guaranteed both
for semi-core and valence states. The improvement in the present work is
validated by atomic and crystalline test calculations for the transferability
and the lattice constant estimation.
