Ukrainian Acad Sci Inst Met Phys Vernadskogo 36 Kiev 252142 Ukraine
Max Planck Inst Festkorperforsch W-7000 Stuttgart 80 Germany

The accuracy and the convergence properties of LAPW wavefunctions are studied using Be metal as an example. We show that radial part of the s-component of wavefunction inside the muffin-tin sphere differs substantially from the exact solution to the radial Schrodinger equation. We find that LAPW method underestimates the energy expectation value in the interstitial region. The inaccuracy of the well-converged wavefunctions occasionally produces significant errors in momentum matrix elements.
 

Zeitschrift fur Physik D, 91 463-466, 1993.