L773:0927 0256 OR L773:1879 0801
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Total energy calculations of random alloys: Supercell, Connolly-Williams, and CPA methods
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- Abrikosov, IA (author)
- Uppsala universitet
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- Ruban, AV (author)
- Uppsala universitet
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- Johansson, B (author)
- Uppsala universitet
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- ELSEVIER SCIENCE BV, 1998
- 1998
- English.
- In: COMPUTATIONAL MATERIALS SCIENCE. - : ELSEVIER SCIENCE BV. - 0927-0256. ; 10:1-4, s. 302-305
- Journal article (other academic/artistic)
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- 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
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- Skriver, HL
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