Calculation of the lattice constant of hexagonal compounds with two dimensional search of equation of state and with semilocal functionals a new package (2D-optimize)

Reshak, Ali H. ; Jamal, Morteza

Journal of alloys and compounds, 2013-04, Vol.555, p.362-366 [Periódico revisado por pares]

Kidlington: Elsevier B.V

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