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The Institute of Theoretical and Applied Mechanics
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1.
Original version of the author's contribution in proceedings, page , section FRA.:
PDF
Mixing algorithms for fixed-point iterations in self-consistent electronic structure calculations
Novák, M.
;
et, al.
In ab-initio calculations of electronic structure and material properties within the density-functional theory (DFT) framework, a self-consistent stationary state of a ma [...]
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