Study of transport behavior for Fe-doping La(0.67)Ca(0.33)MnO3 perovskite manganese.

Systematic studies of the transport properties of La(0.67)Ca(0.33)Mn(1-x)Fe(x)O3 (x=0-0.

Pseudopotential generation.

Different classes of first-principle pseudopotentials are compared and various schemes for pseudopotential generation based on norm conservation are discussed in this paper. BHS (Bachelet, Hamann, and Schlüter)-scheme and V (Vanderbilt)-modifications are used to derive the KB (Kleinman and Bylander)-pseudopotentials and pseudo wave functions of bismuth. Quality test of pseudopotentials shows that no ghost states occur in the logarithmic derivatives of pseudo wave functions of Bismuth.