[Wien] Consult some questions

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Thu Feb 1 13:53:16 CET 2007


> Recently, I want to calculate the X-ray spectra of the materials, I
> know the wien2k program can calculate the spectra under the ambient
> pressure, but I don't know whether it can reflect the variation of the
> spectra with pressure, and if it can, how can I do it?

Just lower the lattice constant and repeat your calculation. The eosfit
program tells you which lattice constant corresponds to which pressure.

Stefaan


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