[Pw_forum] GGA underestimates lattice constant in BaO

Hande Ustunel hande at newton.physics.metu.edu.tr
Thu Aug 7 13:37:33 CEST 2008

Dear Munima,

I have in fact come across a study that claims that Ba 4d states would make
a difference : JAP 100, 086103 (2006)

Best wishes,

Hande Toffoli
Department of Physics
Office 439
Middle East Technical University
Ankara 06531, Turkey
Tel : +90 312 210 3264

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