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probleme with dielectric tensor
Posted: Tue Feb 23, 2010 3:59 am
by lagoun brahim
hi everyone
I can not calculate the dielectric tensor from anaddb (lesson_elastic ) and I get the following error
i need help please
Re: probleme with dielectric tensor
Posted: Tue Feb 23, 2010 12:02 pm
by christian.bohley
Try to set rfatom 1 to <natom> in your abinis input file in order to define correctly the range of atoms for which displacements will be considered in phonon calculations. please send your abinis input-file if this doesn't work, good luck, christian.
Re: probleme with dielectric tensor
Posted: Tue Feb 23, 2010 1:21 pm
by lagoun brahim
hi every one
thank you Christian for your reply
in my input file i send rfatpol to 1 10 (i have 10 atoms in my cell) there is my input file in attachment
thanks again