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

Pavlů,  Jana; Šob,  Mojmír

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
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