[Pw_forum] looking for a routine to symmetrize matrix elements

Nicolas Chamel nchamel at ulb.ac.be
Thu Apr 26 15:23:51 CEST 2007


Dear users,

I'm not working on electronic structure calculations but on an analogous problem in nuclear physics where neutrons play the role of electrons and ions are replaced by nuclei. I would like to use some parts of the code for my own calculations but I'm a bit lost in the code.  For instance I would like to use a routine for the symmetrization of matrix elements for a given crystal structure, let's say bcc. I would really appreciate if someone could guide me though the code. 

Nicolas Chamel

Institut d'Astronomie et d'Astrophysique
Universite Libre de Bruxelles
CP 226
Boulevard du Triomphe
B-1050 Brussels
BELGIUM

tel. +32 2 650 35 72
fax. +32 2 650 28 64



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