[Pw_forum] looking for a routine to symmetrize matrix elements

[Nicola Marzari]

Dear Nicolas,


I think it would be far easier for you to write the
symmetrization by hand, rather than reverse engineering
any code.

			nicola


Nicolas Chamel wrote:
> 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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Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
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