Formation enthalpies by mixing GGA and GGA + U calculations

Physical Review B 2011 Vol. 84; Iss. 4

Formation enthalpies by mixing GGA and GGA + U calculations

Jain, Anubhav, Hautier, Geoffroy, Ong, Shyue, Moore, Charles, Fischer, Christopher, Persson, Kristin, Ceder, Gerbrand
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Volume:
84
Year:
2011
Language:
english
DOI:
10.1103/physrevb.84.045115
File:
PDF, 616 KB
english, 2011
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