Lattice constants from semilocal density functionals with zero-point phonon correction.

Autor: Pan Hao1 adehaopan@gmail.com, Yuan Fang1, Jianwei Sun1, Csonka, Gâbor I.2, Philipsen, Pier H. T.3, Perdew, John P.1
Zdroj: Physical Review B: Condensed Matter & Materials Physics. Jan-Jun2012, Vol. 85 Issue 1, p1-9. 9p.
Databáze: Academic Search Ultimate