Ab initio lattice stability in Laves phases: all-electron (WIEN) vs. pseudopotential (VASP) calculations

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Authors	HOUSEROVÁ Jana ŠOB Mojmír
Year of publication	2005
Type	Article in Proceedings
Conference	CALPHAD XXXIV
MU Faculty or unit	Faculty of Science
Citation	HOUSEROVÁ, Jana and Mojmír ŠOB. Ab initio lattice stability in Laves phases: all-electron (WIEN) vs. pseudopotential (VASP) calculations. In CALPHAD XXXIV. 1st ed. Utrecht: Universiteit Utrecht, 2005, p. 23-23.
Field	Thermodynamics
Keywords	Phase stability; Laves phase
Description	The ab initio calculated stability of C14 Laves phases using the WIEN97 and VASP codes were presented.
Related projects:	Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds Physical and chemical properties of advanced materials and structures