Dear Bahadir 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. HTH
Giuseppe Giuseppe Mattioli ISM-CNR Italy Quoting bahadir <bahadira at buffalo.edu>: > 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 >
