-
4
-
-
0001786236
-
-
27. 1364-5021 10.1098/rspa.1980.0135
-
S. W. de Leeuw, J. W. Perram, and E. R. Smith, Proc. R. Soc. London, Ser. A 373, 27 (1980). 1364-5021 10.1098/rspa.1980.0135
-
(1980)
Proc. R. Soc. London, Ser. A
, vol.373
-
-
De Leeuw, S.W.1
Perram, J.W.2
Smith, E.R.3
-
6
-
-
84977266737
-
-
253. ANPYA2 0003-3804 10.1002/andp.19213690304
-
P. P. Ewald, Ann. Phys. 369, 253 (1921). ANPYA2 0003-3804 10.1002/andp.19213690304
-
(1921)
Ann. Phys.
, vol.369
-
-
Ewald, P.P.1
-
7
-
-
11944256577
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.64.1045
-
M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992). RMPHAT 0034-6861 10.1103/RevModPhys.64.1045
-
(1992)
Rev. Mod. Phys.
, vol.64
, pp. 1045
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
8
-
-
33645608533
-
-
JPSOAW 0022-3719 10.1088/0022-3719/12/21/009
-
J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C 12, 4409 (1979). JPSOAW 0022-3719 10.1088/0022-3719/12/21/009
-
(1979)
J. Phys. C
, vol.12
, pp. 4409
-
-
Ihm, J.1
Zunger, A.2
Cohen, M.L.3
-
9
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
10
-
-
0011236321
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
11
-
-
57749196971
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.78.235104
-
S. Lany and A. Zunger, Phys. Rev. B 78, 235104 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.235104
-
(2008)
Phys. Rev. B
, vol.78
, pp. 235104
-
-
Lany, S.1
Zunger, A.2
-
13
-
-
80052411042
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.84.075155
-
S. E. Taylor and F. Bruneval, Phys. Rev. B 84, 075155 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.075155
-
(2011)
Phys. Rev. B
, vol.84
, pp. 075155
-
-
Taylor, S.E.1
Bruneval, F.2
-
15
-
-
0001626212
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.53.1814
-
L. M. Fraser, W. M. C. Foulkes, G. Rajagopal, R. J. Needs, S. D. Kenny, and A. J. Williamson, Phys. Rev. B 53, 1814 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.53.1814
-
(1996)
Phys. Rev. B
, vol.53
, pp. 1814
-
-
Fraser, L.M.1
Foulkes, W.M.C.2
Rajagopal, G.3
Needs, R.J.4
Kenny, S.D.5
Williamson, A.J.6
-
16
-
-
0000934120
-
-
973. JPSOAW 0022-3719 10.1088/0022-3719/18/5/005
-
M. Leslie and M. J. Gillan, J. Phys. C 18, 973 (1985). JPSOAW 0022-3719 10.1088/0022-3719/18/5/005
-
(1985)
J. Phys. C
, vol.18
-
-
Leslie, M.1
Gillan, M.J.2
-
17
-
-
0001671054
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
-
G. Makov and M. C. Payne, Phys. Rev. B 51, 4014 (1995). PRBMDO 0163-1829 10.1103/PhysRevB.51.4014
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4014
-
-
Makov, G.1
Payne, M.C.2
-
18
-
-
40249084164
-
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
-
DOI 10.1016/j.commatsci.2007.07.020, PII S0927025607002108
-
M. Torrent, F. Jollet, F. Bottin, G. Zérah, and X. Gonze, Comput. Mater. Sci. 42, 337 (2008). CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.020 (Pubitemid 351335267)
-
(2008)
Computational Materials Science
, vol.42
, Issue.2
, pp. 337-351
-
-
Torrent, M.1
Jollet, F.2
Bottin, F.3
Zerah, G.4
Gonze, X.5
-
19
-
-
77956265142
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2010.07.036
-
M. Torrent, N. Holzwarth, F. Jollet, D. Harris, N. Lepley, and X. Xu, Comput. Phys. Commun. 181, 1862 (2010). CPHCBZ 0010-4655 10.1016/j.cpc.2010.07. 036
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1862
-
-
Torrent, M.1
Holzwarth, N.2
Jollet, F.3
Harris, D.4
Lepley, N.5
Xu, X.6
-
20
-
-
0001084315
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.55.10337
-
X. Gonze, Phys. Rev. B 55, 10337 (1997). PRBMDO 0163-1829 10.1103/PhysRevB.55.10337
-
(1997)
Phys. Rev. B
, vol.55
, pp. 10337
-
-
Gonze, X.1
-
21
-
-
20544463457
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
22
-
-
0035871363
-
A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: Atompaw for generating atom-centered functions
-
DOI 10.1016/S0010-4655(00)00244-7, PII S0010465500002447
-
N. Holzwarth, A. Tackett, and G. Matthews, Comput. Phys. Commun. 135, 329 (2001). CPHCBZ 0010-4655 10.1016/S0010-4655(00)00244-7 (Pubitemid 32331242)
-
(2001)
Computer Physics Communications
, vol.135
, Issue.3
, pp. 329-347
-
-
Holzwarth, N.A.W.1
Tackett, A.R.2
Matthews, G.E.3
-
25
-
-
49149091734
-
-
JCOMEL 0953-8984 10.1088/0953-8984/20/31/315004
-
H. P. Komsa, E. Arola, E. Larkins, and T. T. Rantala, J. Phys.: Condens. Matter 20, 315004 (2008). JCOMEL 0953-8984 10.1088/0953-8984/20/31/315004
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, pp. 315004
-
-
Komsa, H.P.1
Arola, E.2
Larkins, E.3
Rantala, T.T.4
-
26
-
-
70449533121
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007
-
X. Gonze, B. Amadon, P. M. Anglade, J. M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, P. Ghosez, M. Giantomassi, S. Goedecker, D. R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G. M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, and J. W. Zwanziger, Comput. Phys. Commun. 180, 2582 (2009). CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2582
-
-
Gonze, X.1
Amadon, B.2
Anglade, P.M.3
Beuken, J.M.4
Bottin, F.5
Boulanger, P.6
Bruneval, F.7
Caliste, D.8
Caracas, R.9
Cote, M.10
Deutsch, T.11
Genovese, L.12
Ghosez, P.13
Giantomassi, M.14
Goedecker, S.15
Hamann, D.R.16
Hermet, P.17
Jollet, F.18
Jomard, G.19
Leroux, S.20
Mancini, M.21
Mazevet, S.22
Oliveira, M.J.T.23
Onida, G.24
Pouillon, Y.25
Rangel, T.26
Rignanese, G.M.27
Sangalli, D.28
Shaltaf, R.29
Torrent, M.30
Verstraete, M.J.31
Zerah, G.32
Zwanziger, J.W.33
more..
-
27
-
-
12044249420
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
-
S. B. Zhang and J. E. Northrup, Phys. Rev. Lett. 67, 2339 (1991). PRLTAO 0031-9007 10.1103/PhysRevLett.67.2339
-
(1991)
Phys. Rev. Lett.
, vol.67
, pp. 2339
-
-
Zhang, S.B.1
Northrup, J.E.2
-
29
-
-
84860830715
-
-
G. Roma, F. Bruneval, T. Liao, O. N. B. Martinez, and J.-P. Crocombette, Defect Diffus. Forum 323-325, 11 (2012).
-
(2012)
Defect Diffus. Forum
, vol.323-325
, pp. 11
-
-
Roma, G.1
Bruneval, F.2
Liao, T.3
Martinez, O.N.B.4
Crocombette, J.-P.5
-
31
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
32
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. D. Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Corso, A.D.11
De Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
-
33
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
|