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References
- Abt R., Ambrosch-Draxl C. and Knoll P. 1994 Physica B 194-196
- Abt R. 1997 PhD Theses, Univ.Graz
- Andersen O.K. 1973 Solid State Commun. 13, 133
- -- 1975 Phys. Rev. B 12, 3060
- Ambrosch-Draxl C., Blaha P., and Schwarz K. 1991 Phys.Rev. B44, 5141
- Ambrosch-Draxl C., Majewski J. A., Vogl P., and Leising G. 1995, PRB 51 9668
- Blaha P. and Schwarz K. 1983 Int. J. Quantum Chem. XXIII, 1535
- Blaha P., Schwarz K., and Herzig P 1985 Phys. Rev. Lett. 54, 1192
- Blaha P., Schwarz K., and Dederichs P 1988 Phys. Rev B 38, 9368
- Blaha P., Schwarz K., Sorantin P.I. and Trickey S.B. 1990 Comp. Phys. Commun. 59, 399
- Blaha P., Sorantin P.I., Schwarz K and Singh D. 1992 Phys. Rev. B 46, 1321
- Blöchl P.E., Jepsen O. and Anderson O.K. 1994, Phys. Rev B 49, 16223
- Boettger J.C. and Albers R.C. 1989 Phys. Rev. B 39, 3010
- Boettger J.C. and Trickey S.B. 1984 Phys. Rev. B 29, 6425
- -- 1985 Phys. Rev. B 32, 3391
- Desclaux J.P. 1969 Comp. Phys. Commun. 1, 216; note that the
actual code we use is an apparently unpublished relativistic
version of the non-relativistic code described in this paper.
Though this code is widely circulated, we have been unable to
find a formal reference for it.
- -- 1975 Comp. Phys. Commun. 9, 31; this paper contains much
of the Dirac-Fock treatment used in Desclaux's relativistic LSDA
code.
- Feldman J.L., Mehl M.J., and Krakauer H. 1987 Phys. Rev. B 35, 6395
- Hébert-Souche C., Louf P.-H., Blaha P., M. Nelhiebel,
Luitz J., Schattschneider P., Schwarz K. and Jouffrey B.;
The orientation dependent simulation of ELNES, Ultramicroscopy, submitted
- Hedin L. and Lundqvist B.I. 1971 J. Phys. C: Sol. St. Phys. 4, 2064
- -- 1972 J. Physique Col. 33, C3-77
- Hohenberg P. and Kohn W. 1964 Phys. Rev. 136, B864
- ``International Tables for X-Ray Crystallography`` 1964 Vol.1;
The Kynoch Press, Birmingham UK
- Jansen H.J.F. and Freeman A.J. 1984 Phys. Rev. B 30, 561
- -- 1986 Phys. Rev. B 33, 8629
- Koelling D.D. 1972 J. Phys. Chem. Solids 33, 1335
- Koelling D.D. and Arbman G.O. 1975 J.Phys. F: Met. Phys. 5, 2041
- Koelling D.D. and Harmon B.N. 1977 J. Phys. C: Sol. St. Phys. 10, 3107
- Kohler B., Wilke S., Scheffler M., Kouba R. and Ambrosch-Draxl C. 1996
Comp.Phys.Commun. 94, 31
- Kohn W. and Sham L.J. 1965 Phys. Rev. 140, A1133
- Krimmel H.G., Ehmann J., Elsässer C., Fähnle M. and
Soler J.M. 1994, Phys.Rev. B50, 8846
- Kurki-Suonio K. 1977 Israel J. Chem. 16, 115
- Liberman D., Waber J.T., and Cromer D.T. 1965, Phys. Rev. 137A, 27
- Mattheiss L.F. and Hamann D.R. 1986 Phys. Rev. B 33, 823
- Meyer-ter-Vehn J. and Zittel W. 1988 Phys. Rev. B37, 8674
- Moruzzi V.L., Janak J.F., and Williams A.R. 1978 ``Calculated Properties
of Metals`` (Pergamon, NY)
- Neckel A., Schwarz K., Eibler R. and Rastl P. 1975 Microchim.Acta, Suppl.6, 257
- Nelhiebel M., Louf P. H., Schattschneider P., Blaha P.,
Schwarz K. and Jouffrey B.; Theory of orientation sensitive near-edge
fine structure core-level spectroscopy, Phys.Rev. B, 1999 accepted
- Novak P. 1997 to be published, see also $WIENROOT/SRC/novak_lecture_on_spinorbit.ps
- Perdew J.P, Chevary J.A., Vosko S.H., Jackson K.A., Pederson
M.R., Singh D.J., and Fiolhais C. 1992 Phys.Rev.B46, 6671
- Perdew J.P. and Wang Y. 1992, Phys.Rev. B45, 13244
- Perdew J.P., Burke S. and Ernzerhof M. 1996, Phys.Rev.Let. 77, 3865
- Pratt G.W. 1952 Phys. Rev. 88, 1217
- Ray A.K. and Trickey S.B. 1981 Phys. Rev. B24, 1751;
erratum 1983, Phys. Rev. B28, 7352
- K.Schwarz and P.Blaha: Lecture Notes in Chemistry 67, 139 (1996)
- Singh D., Krakauer H., and Wang C.-S. 1986 Phys. Rev. B34, 8391
- Singh D. 1991, Phys.Rev. B43, 6388
- Singh D. 1994, Plane waves, pseudopotentials and the LAPW method,
Kluwer Academic
- Soler J.M. and Williams A.R. 1989, Phys.Rev. B40, 1560
- Sorantin P.I., and Schwarz K.H. 1992, Inorg.Chem. 31, 567
- von Barth U. and Hedin L. 1972 J. Phys. C.: Sol. St. Phys. 5, 1629
- Wei S.H., Krakauer H., and Weinert M. 1985 Phys. Rev. B 32, 7792
- Weinert M. 1981 J. Math. Phys. 22, 2433
- Weinert M., Wimmer E., and Freeman A.J. 1982 Phys. Rev. B26, 4571
- Wimmer E., Krakauer H., Weinert M., and Freeman A.J. 1981
Phys. Rev. B24, 864
- Yu R., Singh D. and Krakauer H. 1991, Phys.Rev. B43, 6411
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2000-04-11