Why not? Bulk modulus is just the second derivative of the energy wrt volume (modulo some appropriate definition). Don't be fooled by names. If you are guided by concepts, rather than by names, it should be pretty clear what can be calculated and what cannot. If it's the second derivative of the energy wrt volume that you need, it should be obvious that it can be calculated and how. No matter what the name is. If it is something else, well it depends ... (on concepts, not on names). SB
-- Stefano Baroni, Trieste -- swift message written and sent on the go On 26/feb/2012, at 20:51, bahadir <bahadira at buffalo.edu> wrote: > hi, > 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. > > thanks > > -- > Dr.Bahadir Altintas > > * Dept. of Chemistry > SUNY Buffalo > NY,USA > > * Abant Izzet Baysal University > Dept. of Computer Education > Bolu,Turkey > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
