Values of potentials on different K-points
Posted: Thu May 10, 2012 11:43 am
Dear all,
is there any possibility to extract the values of various potentials on different reciprocal lattice vectors, i.e. for different plane waves? I need them to construct a semiempirical pseudopotential.
Thanks in advance.
is there any possibility to extract the values of various potentials on different reciprocal lattice vectors, i.e. for different plane waves? I need them to construct a semiempirical pseudopotential.
Thanks in advance.