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- W2015803409 abstract "We study the convergence of a plane-wave expansion supplemented (SOPW) by $d$ basis functions for $d$ states in iron [for hybridized states orthogonalized plane waves (OPW's) would be used]. We find a $d$ basis function which leads to convergence with only two sets of plane waves (to within 0.021 Ry), whereas the $d$ basis functions proposed by Deegan and Twose are 0.069 Ry from convergence. The advantages of the SOPW expansion over the augmented-plane-wave expansion for thin-film calculations are discussed." @default.
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- W2015803409 title "Supplemented-orthogonalized-plane-wave expansion for energy-band calculations" @default.
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- W2015803409 doi "https://doi.org/10.1103/physrevb.10.3213" @default.
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