DOI: 10.1016/s0010-4655(00)00244-7. A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions

A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions

10.1016/s0010-4655(00)00244-7

Crossref journal-article

Elsevier BV

Computer Physics Communications (78)

Bibliography

Holzwarth, N. A. W., Tackett, A. R., & Matthews, G. E. (2001). A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions. Computer Physics Communications, 135(3), 329â347.

Authors 3

N.A.W. Holzwarth (first)
A.R. Tackett (additional)
G.E. Matthews (additional)

References 24 Referenced 382

10.1103/PhysRevLett.43.1494 / Phys. Rev. Lett. by Hamann (1979)
10.1088/0022-3719/13/9/004 / J. Phys. C: Solid St. Phys. by Kerker (1980)
10.1103/PhysRevB.26.4199 / Phys. Rev. B by Bachelet (1988)
10.1103/PhysRevB.40.2980 / Phys. Rev. B by Hamann (1989)
10.1103/PhysRevB.41.5414 / Phys. Rev. B by Blöchl (1990)
10.1103/PhysRevB.43.1993 / Phys. Rev. B by Troullier (1991)
10.1103/PhysRevB.41.7892 / Phys. Rev. B by Vanderbilt (1990)
10.1016/S0010-4655(98)00201-X / Comput. Phys. Comm. by Fuchs (1999)
10.1103/PhysRevB.50.17953 / Phys. Rev. B by Blöchl (1994)
10.1103/PhysRevB.55.2005 / Phys. Rev. B by Holzwarth (1997)
10.1103/PhysRevB.57.11827 / Phys. Rev. B by Holzwarth (1998)
10.1103/PhysRevB.59.1758 / Phys. Rev. B by Kresse (1999)
10.1016/S0010-4655(00)00241-1 / Comput. Phys. Comm. by Tackett (2001)
10.1103/PhysRev.140.A1133 / Phys. Rev. by Kohn (1965)
10.1103/PhysRevB.45.13244 / Phys. Rev. B by Perdew (1992)
{'key': '10.1016/S0010-4655(00)00244-7_BIB016', 'series-title': 'The Calculation of Atomic Structures', 'author': 'Hartree', 'year': '1957'} / The Calculation of Atomic Structures by Hartree (1957)
10.1103/PhysRevB.45.11465 / Phys. Rev. B by Chou (1992)
N.A.W. Holzwarth, R.T. Williams, A. Tackett, G.E. Matthews, 2000. To be published
10.1073/pnas.30.9.244 / Proc. Nat. Acad. Sci. USA by Murnaghan (1944)
10.1103/PhysRevB.41.12264 / Phys. Rev. B by Gonze (1990)
10.1103/PhysRevB.44.8503 / Phys. Rev. B by Gonze (1991)
{'key': '10.1016/S0010-4655(00)00244-7_BIB022', 'series-title': 'WIEN97', 'author': 'Blaha', 'year': '1997'} / WIEN97 by Blaha (1997)
10.1103/PhysRevLett.48.1425 / Phys. Rev. Lett. by Kleinman (1982)
{'key': '10.1016/S0010-4655(00)00244-7_BIB024', 'series-title': 'Numerical Analysis', 'author': 'Hartree', 'year': '1958'} / Numerical Analysis by Hartree (1958)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 9:05 a.m.)
Deposited	6 years, 4 months ago (April 25, 2019, 12:54 a.m.)
Indexed	1 day, 18 hours ago (Aug. 23, 2025, 9:32 p.m.)
Issued	24 years, 4 months ago (April 1, 2001)
Published	24 years, 4 months ago (April 1, 2001)
Published Print	24 years, 4 months ago (April 1, 2001)

Funders 0

None

BibTeX

@article{Holzwarth_2001, title={A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions}, volume={135}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/s0010-4655(00)00244-7}, DOI={10.1016/s0010-4655(00)00244-7}, number={3}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Holzwarth, N.A.W. and Tackett, A.R. and Matthews, G.E.}, year={2001}, month=apr, pages={329–347} }

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