/pheam

Automatically exported from code.google.com/p/pheam

Primary LanguageC++

This code aims to calculate the phonon related properties based on
the EAM potential by deriving the derivatives of the force field.

For PDOS evaluations, the irreducible q-points were generated by
calling the library symspg, which could be found:
http://sourceforge.net/projects/spglib/

sgl library is also used for interpolating the EAM potential via
splines; and clapack is also needed for the eigen problems.

Author: L.T. Kong
2010