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Physical Review B - Condensed Matter and Materials Physics

Volumn 54, Issue 20, 1996, Pages 14362-14375

Real-space multigrid-based approach to large-scale electronic structure calculations

(3) Briggs, E a Sullivan, D a Bernholc, J a

a NORTH CAROLINA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000054413 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.54.14362 Document Type: Article

Times cited : (296)

References (76)

1
- 0000636413
- See, for example, I. Stich, M. C. Payne, R. D. King-Smith and J.-S. Lin, Phys. Rev. Lett. 68, 1351 (1992).
- (1992) Phys. Rev. Lett. , vol.68 , pp. 1351
- Stich, I.¹ Payne, M.² King-Smith, R.³

2
- 0000544910
- K. D. Brommer, M. Needels, B. E. Larson and J. D. Joannopoulos, Phys. Rev. Lett. 68, 1355 (1992).
- (1992) Phys. Rev. Lett. , vol.68 , pp. 1355
- Brommer, K.¹ Needels, M.² Larson, B.³ Joannopoulos, J.⁴

3
- 4244193879
- P. Bogusławski, Q.-M. Zhang, Z. Zhang and J. Bernholc, Phys. Rev. Lett. 72, 3694 (1994).
- (1994) Phys. Rev. Lett. , vol.72 , pp. 3694
- Bogusławski, P.¹ Zhang, Z.² Bernholc, J.³

4
- 4243606192
- R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
- (1985) Phys. Rev. Lett. , vol.55 , pp. 2471
- Car, R.¹ Parrinello, M.²

5
- 33645885675
- M. P. Teter, M. C. Payne and D. C. Allan, Phys. Rev. B 40, 12t255 (1989).
- (1989) Phys. Rev. B , vol.40 , pp. 12255
- Teter, M.¹ Payne, M.² Allan, D.³

6
- 0001106308
- T. A. Arias, M. C. Payne and J. D. Joannopoulos, Phys. Rev. Lett. 69, 1077 (1992).
- (1992) Phys. Rev. Lett. , vol.69 , pp. 1077
- Arias, T.¹ Payne, M.² Joannopoulos, J.³

7
- 26744456062
- T. A. Arias, M. C. Payne and J. D. Joannopoulos, Phys. Rev. B 45, 1538 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 1538
- Arias, T.¹ Payne, M.² Joannopoulos, J.³

8
- 20544463457
- D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

9
- 0000824211
- A. M. Rappe, K. M. Rabe, E. Kaxiras and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 1227
- Rappe, A.¹ Rabe, K.² Kaxiras, E.³ Joannopoulos, J.⁴

10
- 0001139472
- J.-S. Lin, A. Qteish, M. C. Payne and V. Heine, Phys. Rev. B 47, 4174 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 4174
- Qteish, A.¹ Payne, M.² Heine, V.³

11
- 85037912690
- G. Li and S. Rabii (unpublished).
- Li, G.¹ Rabii, S.²

12
- 0001358577
- P. E. Blöchl, Phys. Rev. B 41, 5414 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 5414
- Blöchl, P.¹

13
- 2842603087
- F. Gygi, Europhys. Lett. 19, 6617 (1992).
- (1992) Europhys. Lett. , vol.19 , pp. 6617
- Gygi, F.¹

14
- 4244217973
- F. Gygi, Phys. Rev. B 48, 11t692 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 11692
- Gygi, F.¹

15
- 4243455842
- D. R. Hamann, Phys. Rev. B 51, 7337 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 7337
- Hamann, D.¹

16
- 26744455565
- D. R. Hamann, Phys. Rev. B 51, 9508 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 9508
- Hamann, D.¹

17
- 0011621942
- W. Yang, Phys. Rev. Lett. 66, 1438 (1991).
- (1991) Phys. Rev. Lett. , vol.66 , pp. 1438
- Yang, W.¹

18
- 3843075351
- G. Galli and M. Parrinello, Phys. Rev. Lett. 69, 3547 (1992).
- (1992) Phys. Rev. Lett. , vol.69 , pp. 3547
- Galli, G.¹ Parrinello, M.²

19
- 33645704666
- F. Mauri, G. Galli and R. Car, Phys. Rev. B 47, 9973 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 9973
- Mauri, F.¹ Galli, G.² Car, R.³

20
- 33744671412
- P. Ordejón, D. A. Drabold, M. P. Grumbach and R. M. Martin, Phys. Rev. B 48, 14t646 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 14646
- Ordejón, P.¹ Drabold, D.² Grumbach, M.³ Martin, R.⁴

21
- 0000303596
- J. Kim, F. Mauri and G. Galli, Phys. Rev. B 52, 1640 (1995).
- (1995) Phys. Rev. B , vol.52 , pp. 1640
- Kim, J.¹ Mauri, F.² Galli, G.³

22
- 84956123907
- S. Baroni and P. Giannozzi, Europhys. Lett. 17, 547 (1992).
- (1992) Europhys. Lett. , vol.17 , pp. 547
- Baroni, S.¹ Giannozzi, P.²

23
- 35949007371
- X.-P. Li, R. Nunes and D. Vanderbilt, Phys. Rev. B 47, 10t891 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 10891
- Nunes, R.¹ Vanderbilt, D.²

24
- 0001586626
- M. Daw, Phys. Rev. B 47, 10t895 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 10895
- Daw, M.¹

25
- 0000244042
- W. Hierse and E. Stechel, Phys. Rev. B 50, 17811 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 17811
- Hierse, W.¹ Stechel, E.²

26
- 4244168143
- S. Goedecker and L. Colombo, Phys. Rev. Lett. 73, 122 (1994).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 122
- Goedecker, S.¹ Colombo, L.²

27
- 0001351072
- E. Hernandez and M. J. Gillan, Phys. Rev. B 51, 10t157 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 10157
- Hernandez, E.¹ Gillan, M.²

28
- 2842614806
- E. Hernandez, C. M. Goringe and M. J. Gillan, Phys. Rev. B 53, 7147 (1996).
- (1996) Phys. Rev. B , vol.53 , pp. 7147
- Hernandez, E.¹ Goringe, C.² Gillan, M.³

29
- 0000674491
- S. R. White, J. W. Wilkins and M. P. Teter, Phys. Rev. B 39, 5819 (1989).
- (1989) Phys. Rev. B , vol.39 , pp. 5819
- White, S.¹ Wilkins, J.² Teter, M.³

30
- 0000147262
- J. Bernholc, J.-Y. Yi and D. J. Sullivan, Faraday Discuss. Chem. Soc. 92, 217 (1991).
- (1991) Faraday Discuss. Chem. Soc. , vol.92 , pp. 217
- Bernholc, J.¹ Sullivan, D.²

31
- 3843133047
- J. R. Chelikowsky, N. Troullier and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994).
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1240
- Chelikowsky, J.¹ Troullier, N.² Saad, Y.³

32
- 0001360121
- J. R. Chelikowsky, N. Troullier, K. Wu and Y. Saad, Phys. Rev. B 50, 11t355 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 11355
- Chelikowsky, J.¹ Troullier, N.² Wu, K.³ Saad, Y.⁴

33
- 0000196211
- X. Jing, N. Troullier, D. Dean, N. Binggeli, J. R. Chelikowsky, K. Wu and Y. Saad, Phys. Rev. B 50, 12t234 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 12234
- Jing, X.¹ Troullier, N.² Dean, D.³ Binggeli, N.⁴ Chelikowsky, J.⁵ Wu, K.⁶ Saad, Y.⁷

34
- 0001664990
- J. R. Chelikowsky, X. Jing, K. Wu and Y. Saad, Phys. Rev. B 53, 12t071 (1996).
- (1996) Phys. Rev. B , vol.53 , pp. 12071
- Chelikowsky, J.¹ Jing, X.² Wu, K.³ Saad, Y.⁴

35
- 0000328286
- E. L. Briggs, D. J. Sullivan and J. Bernholc, Phys. Rev. B 52, R5471 (1995).
- (1995) Phys. Rev. B , vol.52 , pp. R5471
- Briggs, E.¹ Sullivan, D.² Bernholc, J.³

36
- 0000767995
- K. A. Iyer, M. P. Merrick and T. L. Beck, J. Chem. Phys. 103, 227 (1995);T. L. Beck, K. A. Iyer, and M. P. Merrick (unpublished).
- (1995) J. Chem. Phys. , vol.103 , pp. 227
- Iyer, K.¹ Merrick, M.² Beck, T.³

37
- 85037877279
- E. J. Bylaska, S. R. Kohn, S. B. Baden, A. Edelman, R. Kawai, M. Elizabeth, G. Ong, and J. H. Weare (unpublished).
- Bylaska, E.¹ Kohn, S.² Baden, S.³ Edelman, A.⁴ Kawai, R.⁵ Elizabeth, M.⁶ Ong, G.⁷ Weare, J.⁸

38
- 0000544586
- F. Gygi and G. Galli, Phys. Rev. B 52, R2229 (1995).
- (1995) Phys. Rev. B , vol.52 , pp. R2229
- Gygi, F.¹ Galli, G.²

39
- 0030196238
- G. Zumbach, N. A. Modine and E. Kaxiras, Solid State Commun. 99, 57 (1996).
- (1996) Solid State Commun. , vol.99 , pp. 57
- Zumbach, G.¹ Modine, N.² Kaxiras, E.³

40
- 12044256405
- K. Cho, T. A. Arias, J. D. Joannopoulos and P. K. Lam, Phys. Rev. Lett. 71, 1808 (1993).
- (1993) Phys. Rev. Lett. , vol.71 , pp. 1808
- Cho, K.¹ Arias, T.² Joannopoulos, J.³ Lam, P.⁴

41
- 7444231074
- S. Wei and M. Y. Chou, Phys. Rev. Lett. 76, 2650 (1996).
- (1996) Phys. Rev. Lett. , vol.76 , pp. 2650
- Wei, S.¹ Chou, M.²

42
- 84966233568
- A. Brandt, Math. Compt. 31, 333 (1977).
- (1977) Math. Compt. , vol.31 , pp. 333
- Brandt, A.¹

43
- 0003230568
- A. Brandt, GMD Studien 85, 1 (1984).
- (1984) GMD Studien , vol.85 , pp. 1
- Brandt, A.¹

44
- 0000946373
- A. P. Seitsonen, M. J. Puska and R. M. Nieminen, Phys. Rev. B 51, 14t057 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 14057
- Seitsonen, A.¹ Puska, M.² Nieminen, R.³

45
- 5844306937
- D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
- (1989) Phys. Rev. B , vol.40 , pp. 2980
- Hamann, D.¹

46
- 3743048569
- G. B. Bachelet, D. R. Hamann and M. Schluter, Phys. Rev. B 26, 4199 (1982).
- (1982) Phys. Rev. B , vol.26 , pp. 4199
- Bachelet, G.¹ Hamann, D.² Schluter, M.³

47
- 24544460330
- D. R. Hamann, M. Schluter and C. Chang, Phys. Rev. Lett. 43, 1494 (1979).
- (1979) Phys. Rev. Lett. , vol.43 , pp. 1494
- Hamann, D.¹ Schluter, M.² Chang, C.³

48
- 0001161603
- L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1425
- Kleinman, L.¹ Bylander, D.²

49
- 36549104726
- see J. Bernholc and N. A. W. Holzwarth, J. Chem. Phys. 81, 3987 (1984).
- (1984) J. Chem. Phys. , vol.81 , pp. 3987
- Bernholc, J.¹ Holzwarth, N.²

50
- 0000736233
- J. Chelikowsky and S. G. Louie, Phys. Rev. B 29, 3470 (1984).
- (1984) Phys. Rev. B , vol.29 , pp. 3470
- Chelikowsky, J.¹ Louie, S.²

51
- 33646638059
- W. E. Pickett, Comput. Phys. Rep. 9, 115 (1989).
- (1989) Comput. Phys. Rep. , vol.9 , pp. 115
- Pickett, W.¹

52
- 0000881930
- R. D. King-Smith, M. C. Payne and J.-S. Lin, Phys. Rev. B 44, 13t063 (1991).
- (1991) Phys. Rev. B , vol.44 , pp. 13063
- King-Smith, R.¹ Payne, M.²

53
- 0000198608
- A. Baldereschi, Phys. Rev. B 7, 5212 (1972).
- (1972) Phys. Rev. B , vol.7 , pp. 5212
- Baldereschi, A.¹

54
- 85037880819
- M. Buongiorno Nardelli (private communication).
- Buongiorno Nardelli, M.¹

55
- 0001436351
- P. K. Lam, M. L. Cohen, Phys. Rev. B 24, 4224 (1981).
- (1981) Phys. Rev. B , vol.24 , pp. 4224
- Lam, P.¹ Cohen, M.²

56
- 0003470014
- N. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt, Rinehart and Winston, Philadelphia, 1976), p. 77.
- (1976) Solid State Physics , pp. 77
- Ashcroft, N.¹ Mermin, N.²

57
- 0001125357
- M. Needels, J. D. Joannopoulos, Y. Bar-Yam and S. T. Pantelides, Phys. Rev. B 43, 4208 (1991).
- (1991) Phys. Rev. B , vol.43 , pp. 4208
- Needels, M.¹ Joannopoulos, J.² Bar-Yam, Y.³ Pantelides, S.⁴

58
- 84931507903
- P. Pulay, Mol. Phys. 17, 197 (1969).
- (1969) Mol. Phys. , vol.17 , pp. 197
- Pulay, P.¹

59
- 0004185470
- SIAM, Philadelphia
- W. L. Briggs, A Multigrid Tutorial (SIAM, Philadelphia, 1987).
- (1987) A Multigrid Tutorial
- Briggs, W.¹

60
- 11944256577
- For a recent review, see M. C. Payne, D. C. Allan, M. P. Teter, T. A. Arias and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.¹ Allan, D.² Teter, M.³ Arias, T.⁴ Joannopoulos, J.⁵

61
- 0003474751
- Cambridge University Press, Cambridge
- W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran, 2nd ed. (Cambridge University Press, Cambridge, 1992), Sec. 19.5.
- (1992) Numerical Recipes in Fortran, 2nd ed.
- Press, W.¹ Teukolsky, S.² Vetterling, W.³ Flannery, B.⁴

62
- 0004061530
- G. M. Philips and P. J. Taylor, Theory and Applications of Numerical Analysis (Academic, London, 1980), p. 256.
- (1980) Theory and Applications of Numerical Analysis , pp. 256
- Philips, G.¹ Taylor, P.²

63
- 85037899249
- W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran (Ref. 41), Sec. 19.6.
- Press, W.¹ Teukolsky, S.² Vetterling, W.³ Flannery, B.⁴

64
- 0003815501
- Springer-Verlag, Berlin
- W. Hackbusch, Multi-Grid Methods and Applications (Springer-Verlag, Berlin, 1985).
- (1985) Multi-Grid Methods and Applications
- Hackbusch, W.¹

65
- 0000815547
- A. Brandt, S. F. McCormick and J. W. Ruge, SIAM J. Sci. Stat. Comput. 4, 244 (1983).
- (1983) SIAM J. Sci. Stat. Comput. , vol.4 , pp. 244
- Brandt, A.¹ McCormick, S.² Ruge, J.³

66
- 0004279470
- W. Hackbusch, Multi-Grid Methods and Applications (Ref. 44), p. 282.
- Multi-Grid Methods and Applications , pp. 282
- Hackbusch, W.¹

67
- 0004237599
- Deuticke, Leipzig
- H. Hellmann, Einführung in die Quantumchemie (Deuticke, Leipzig, 1937).
- (1937) Einführung in die Quantumchemie
- Hellmann, H.¹

68
- 34547564932
- R. P. Feynman, Phys. Rev. 56, 340 (1939).
- (1939) Phys. Rev. , vol.56 , pp. 340
- Feynman, R.¹

69
- 0000394426
- D. Beeman, J. Comput. Phys. 20, 130 (1976).
- (1976) J. Comput. Phys. , vol.20 , pp. 130
- Beeman, D.¹

70
- 85037886529
- D. J. Sullivan (unpublished).
- Sullivan, D.¹

71
- 2842538661
- M. G. Wensell, E. L. Briggs, C. Roland and J. Bernholc, Bull. Am. Phys. Soc. 41, 258 (1996).
- (1996) Bull. Am. Phys. Soc. , vol.41 , pp. 258
- Wensell, M.¹ Briggs, E.² Roland, C.³ Bernholc, J.⁴

72
- 2842520849
- C. J. Brabec, E. L. Briggs, D. J. Sullivan and J. Bernholc, Bull. Am. Phys. Soc. 41, 443 (1996).
- (1996) Bull. Am. Phys. Soc. , vol.41 , pp. 443
- Brabec, C.¹ Briggs, E.² Sullivan, D.³ Bernholc, J.⁴

73
- 85037874532
- M. Buongiorno Nardelli, K. Rapcewicz, E. L. Briggs, and J. Bernholc (unpublished).
- Buongiorno Nardelli, M.¹ Rapcewicz, K.² Briggs, E.³ Bernholc, J.⁴

74
- 2842534304
- D. J. Sullivan, E. L. Briggs, C. J. Brabec and J. Bernholc, Bull. Am. Phys. Soc. 41, 443 (1996).
- (1996) Bull. Am. Phys. Soc. , vol.41 , pp. 443
- Sullivan, D.¹ Briggs, E.² Brabec, C.³ Bernholc, J.⁴

75
- 33646927170
- G. H. Golub and C. F. Van Loan, Matrix Computations (Ref. 50), p. 243.
- Matrix Computations , pp. 243
- Golub, G.¹ Van Loan, C.²

76
- 0029391745
- X. Jing, N. Troullier and J. R. Chelikowsky, Solid State Commun. 96, 231 (1996).
- (1996) Solid State Commun. , vol.96 , pp. 231
- Jing, X.¹ Troullier, N.² Chelikowsky, J.³

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