hi everyone
I can not calculate the dielectric tensor from anaddb (lesson_elastic ) and I get the following error
i need help please
probleme with dielectric tensor
Moderators: mverstra, joaocarloscabreu
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lagoun brahim
- Posts: 19
- Joined: Sun Feb 21, 2010 4:11 pm
probleme with dielectric tensor
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christian.bohley
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Re: probleme with dielectric tensor
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.
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lagoun brahim
- Posts: 19
- Joined: Sun Feb 21, 2010 4:11 pm
Re: probleme with dielectric tensor
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
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
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- 30_elast8.in
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