Proft, 2002, J. Comput. Chem., 23, 1198, 10.1002/jcc.10067
Popelier, 2001, Theor. Chem. Acc., 105, 393, 10.1007/s002140000224
P.L.A. Popelier, MORPHY98, A program written by P.L.A. Popelier with a contribution from R.G.A. Bone. UMIST, Manchester, England, 1998.
Stefanov, 1995, J. Comput. Chem., 16, 1394, 10.1002/jcc.540161108
Popelier, 1994, Theor. Chim. Acta, 87, 465, 10.1007/BF01127809
Popelier, 1998, Comp. Phys. Commun., 108, 180, 10.1016/S0010-4655(97)00121-5
Malcolm, 2003, J. Comput. Chem., 24, 437, 10.1002/jcc.10203
Malcolm, 2003, J. Comput. Chem., 24, 1276, 10.1002/jcc.10250
Noury, 1997, Comput. Chem., 23, 597, 10.1016/S0097-8485(99)00039-X
Silvi, 2000, J. Phys. Chem. A, 104, 947, 10.1021/jp992784c
Uberuaga, 1999, J. Chem. Phys., 111, 10664, 10.1063/1.480420
Katan, 2003, J. Appl. Cryst., 36, 65, 10.1107/S0021889802018691
Aray, 1997, J. Phys. Chem. A, 101, 6976, 10.1021/jp971325d
Madsen, 1999, Phys. Rev. B, 59, 12359, 10.1103/PhysRevB.59.12359
König, 1998, J. Comput. Chem., 3, 317, 10.1002/jcc.540030306
Kresse, 1993, Phys. Rev. B, 47, 558, 10.1103/PhysRevB.47.558
Kresse, 1994, Phys. Rev. B, 49, 14251, 10.1103/PhysRevB.49.14251
Kresse, 1996, Comput. Mater. Sci., 6, 16, 10.1016/0927-0256(96)00008-0
Blöchl, 1994, Phys. Rev. B, 50, 17953, 10.1103/PhysRevB.50.17953
Kresse, 1999, Phys. Rev. B, 59, 1758, 10.1103/PhysRevB.59.1758
Berkenheuer, 1994, J. Chem. Phys., 100, 6826, 10.1063/1.467042
Gonze, 2002, Comput. Mater. Sci., 25, 478, 10.1016/S0927-0256(02)00325-7
Noguera, 2002, Surf. Sci., 507–510, 245, 10.1016/S0039-6028(02)01254-2
Uberuaga, 2005, Phys. Rev. B, 71, 104102, 10.1103/PhysRevB.71.104102
Liu, 2000, Appl. Phys. Lett., 77, 2018, 10.1063/1.1313253
Aboy, 2003, Appl. Phys. Lett., 83, 4166, 10.1063/1.1628391
Vanderbilt, 1990, Phys. Rev. B, 41, 7892, 10.1103/PhysRevB.41.7892