Dear Quantum users I tried to calculate the Bulk modulus B of BaF2 compound for 3 cubic phases, orthorhombic and hexagonal, using ev.x command, the cubic structure gives B = 50GPa the same for the hexagonal phase, while the orthorhombic structure does not exist. B is underestimated compared to other publications (60GPa). can you comment this result? cordially
-- H.ZAARI *PhD Student in laboratory of magnetism and physics of high energy (LMPHE)* *Faculty of Sciences in Rabat - Morocco* *Email: halimazaari at gmail.com <halimazaari at gmail.com>* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140923/02c819af/attachment.html
