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Total energy calculations of random alloys: Supercell, Connolly-Williams, and CPA methods
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
1998 (English)In: COMPUTATIONAL MATERIALS SCIENCE, ISSN 0927-0256, Vol. 10, no 1-4, 302-305 p.Article in journal (Other scientific) Published
Abstract [en]

We compare the results of total energy calculations obtained by three most popular methods, the supercell method, the Connolly-Williams (CW) method, and the coherent potential approximation (CPA). As a reference we use the result for a supercell of 256 at

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1998. Vol. 10, no 1-4, 302-305 p.
Keyword [en]
TRANSITION
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URN: urn:nbn:se:uu:diva-71412OAI: oai:DiVA.org:uu-71412DiVA: diva2:99323
Note
Addresses: Abrikosov IA, Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden. Tech Univ Denmark, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark. TecAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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CiteExportLink to record
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