[Pw_forum] Bulk modulus under pressure?
giuseppe.mattioli at ism.cnr.it
Sun Feb 26 21:22:43 CET 2012
The bulk modulus is -V(dP/dV). You may perform several vc-relax
calculations with different P targets and construct your P(V) curve.
Then you may calculate the derivative of the curve at a given P value.
Quoting bahadir <bahadira at buffalo.edu>:
> mayb this is a stupid question but i wonder if is it possible to
> calculate bulk modulus under different pressures? or is it meaningless.
> i have seen some articles that gives pressure vs. bulk modulus data. but
> it confuses me.
> Dr.Bahadir Altintas
> * Dept. of Chemistry
> SUNY Buffalo
> * Abant Izzet Baysal University
> Dept. of Computer Education
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> Pw_forum at pwscf.org
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