[Pw_forum] bulk modulus

Halima Zaari halimazaari at gmail.com
Tue Sep 23 22:51:00 CEST 2014

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?


*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>*
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