W. Kohn, 1965, Phys. Rev., 140, A1133, 10.1103/PhysRev.140.A1133
R.O. Jones, 1989, Rev. Mod. Phys., 61, 689, 10.1103/RevModPhys.61.689
R.P. Feynman, 1939, Phys. Rev., 56, 340, 10.1103/PhysRev.56.340
D. Vanderbilt, 1990, Phys. Rev. B, 41, 7892, 10.1103/PhysRevB.41.7892
P.E. Blöchl, 1994, Phys. Rev. B, 50, 17t953, 10.1103/PhysRevB.50.17953
R. Car, 1985, Phys. Rev. Lett., 55, 2471, 10.1103/PhysRevLett.55.2471
M.C. Payne, 1986, Phys. Rev. Lett., 56, 2656, 10.1103/PhysRevLett.56.2656
F. Tassone, 1994, Phys. Rev. B, 50, 10t561, 10.1103/PhysRevB.50.10561
A. Williams, 1987, Bull. Am. Phys. Soc. B, 32, 562
M. Weinert, 1990, Phys Rev. Lett., 64, 1146, 10.1103/PhysRevLett.64.1146
P.H. Dederichs, 1983, Phys. Rev. B, 28, 5462, 10.1103/PhysRevB.28.5462
H. Akai, 1985, J. Phys. C, 18, 2455, 10.1088/0022-3719/18/12/009
W.H. Press, 1986, Numerical Recipes
E. Polak, 1971, Computational Methods in Optimization
M.P. Teter, 1989, Phys. Rev. B, 40, 12t255, 10.1103/PhysRevB.40.12255
I. Stich, 1989, Phys Rev. B, 39, 4997, 10.1103/PhysRevB.39.4997
M.J. Gillan, 1989, J. Phys. Condens. Matter, 1, 689, 10.1088/0953-8984/1/4/005
T.A. Arias, 1992, Phys. Rev. Lett., 69, 1077, 10.1103/PhysRevLett.69.1077
M.P. Grumbach, 1994, J. Phys. Condens. Matter, 1, 1999, 10.1088/0953-8984/6/10/017
R.D. King-Smith, 1994, Phys. Rev. B, 49, 5828, 10.1103/PhysRevB.49.5828
J.M. Holender, 1995, Phys. Rev. B, 52, 967, 10.1103/PhysRevB.52.967
I. Stich, 1996, Phys. Rev. Lett., 76, 2077, 10.1103/PhysRevLett.76.2077
G. Kresse, 1993, Phys. Rev. B, 47, RC558, 10.1103/PhysRevB.47.558
G. Kresse, 1993, Phys. Rev. B, 48, 13t115, 10.1103/PhysRevB.48.13115
G. Kresse, 1994, Phys. Rev. B, 49, 14t251, 10.1103/PhysRevB.49.14251
J. Furthmüller, 1994, Europhys. Lett., 28, 659, 10.1209/0295-5075/28/9/008
J. Furthmüller, 1996, Phys. Rev. B, 53, 7334, 10.1103/PhysRevB.53.7334
J. Furthmüller, 1995, Phys. Rev. Lett., 74, 5084, 10.1103/PhysRevLett.74.5084
A. Eichler, 1996, Surf. Sci., 346, 300, 10.1016/0039-6028(95)00906-X
G. Kresse, 1995, Europhys. Lett., 32, 729, 10.1209/0295-5075/32/9/005
K. Laasonen, 1992, Phys. Rev. B, 47, 10t142, 10.1103/PhysRevB.47.10142
N.D. Mermin, 1965, Phys. Rev., 137, A1441, 10.1103/PhysRev.137.A1441
G. Kresse, 1994, J. Phys. Condens. Matter, 6, 8245, 10.1088/0953-8984/6/40/015
J.F. Annett, 1995, Comput. Mat. Sci., 4, 23, 10.1016/0927-0256(94)00013-3
M. Weinert, 1992, Phys. Rev. B, 45, 13t709, 10.1103/PhysRevB.45.13709
R.M. Wentzcovitch, 1992, Phys. Rev B, 45, 11t372, 10.1103/PhysRevB.45.11372
O. Jepsen, 1971, Solid State Commun., 9, 1763, 10.1016/0038-1098(71)90313-9
P.E. Blöchl, 1994, Phys. Rev. B, 49, 16t223, 10.1103/PhysRevB.49.16223
C.-L. Fu, 1983, Phys. Rev. B, 28, 5480, 10.1103/PhysRevB.28.5480
M. Methfessel, 1989, Phys. Rev. B, 40, 3616, 10.1103/PhysRevB.40.3616
A. De Vita, 1991, J. Phys. Condens. Matter, 3, 6225, 10.1088/0953-8984/3/33/002
J. Harris, 1985, Phys. Rev. B, 31, 1770, 10.1103/PhysRevB.31.1770
W.M.C. Foulkes, 1989, Phys. Rev. B, 39, 12t520, 10.1103/PhysRevB.39.12520
P. Pulay, 1977, Modern Theoretical Chemistry
S. Goedecker, 1992, Phys. Rev. B, 45, 1597, 10.1103/PhysRevB.45.1597
P. Bendt, 1983, Phys. Rev. Lett., 50, 1684, 10.1103/PhysRevLett.50.1684
M. Methfessel, 1993, Phys. Rev. B, 48, 4937, 10.1103/PhysRevB.48.4937
E.R. Davidson, 1983, Methods in Computational Molecular Physics, Vol. 113 of NATO Advanced Study Institute, Series C: Mathematical and Physical Sciences
1978, Report on the Workshop Numerical Algorithms in Chemistry: Algebraic Methods
B. Liu, Report on the Workshop Numerical Algorithms in Chemistry: Algebraic Methods
M. Bylander, 1990, Phys. Rev. B, 42, 1394, 10.1103/PhysRevB.42.1394
B.N. Parlett, 1980, The Symmetric Eigenvalue Problem
P. Pulay, 1980, Chem. Phys. Lett., 73, 393, 10.1016/0009-2614(80)80396-4
D.M. Wood, 1985, J. Phys. A, 18, 1343, 10.1088/0305-4470/18/9/018
T.A. Arias, 1992, Phys. Rev. B, 45, 1538, 10.1103/PhysRevB.45.1538
R.D. King-Smith, 1991, Phys. Rev. B, 44, 13t063, 10.1103/PhysRevB.44.13063
J. Ihm, 1982, Phys. Rev. B, 25, 4260, 10.1103/PhysRevB.25.4260
D. Vanderbilt, 1984, Phys. Rev. B, 30, 6118, 10.1103/PhysRevB.30.6118
D.D. Johnson, 1988, Phys. Rev. B, 38, 12t087
C.G. Broyden, 1965, Math. Comput., 19, 577, 10.1090/S0025-5718-1965-0198670-6
P. Bendt, 1982, Phys. Rev. B, 26, 3114, 10.1103/PhysRevB.26.3114
G.P. Srivastava, 1984, J. Phys. A, 17, L317, 10.1088/0305-4470/17/6/002
G.P. Kerker, 1981, Phys. Rev. B, 23, 3082, 10.1103/PhysRevB.23.3082
H.J. Monkhorst, 1976, Phys. Rev. B, 13, 5188, 10.1103/PhysRevB.13.5188
J. Hutter, 1994, Comput. Mat. Sci., 2, 244, 10.1016/0927-0256(94)90105-8
J. Hafner, 1987, From Hamiltonians to Phase Diagrams, 10.1007/978-3-642-83058-7