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Title:

Toward Routine Gauge-Including Projector Augmented-Wave Calculations for Metallic Systems: The Case of ScT2Al (T = Ni, Pd, Pt, Cu, Ag, Au) Heusler Phases

Author(s):
Ferreira, Ary R.; Reuter, Karsten; Scheurer, Christoph
Journal title:
The Journal of Physical Chemistry C
Year:
2016
Journal volume:
120
Journal issue:
44
Pages contribution:
25530-25540
Fulltext / DOI:
doi:10.1021/acs.jpcc.6b08418
Publisher:
American Chemical Society (ACS)
E-ISSN:
1932-74471932-7455
Date of publication:
10.11.2016
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