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
-
lagoun brahim
- Posts: 19
- Joined: Sun Feb 21, 2010 4:11 pm
probleme with dielectric tensor
- Attachments
-
ana1.log- (8.22 KiB) Downloaded 418 times
-
christian.bohley
- Posts: 5
- Joined: Thu Feb 18, 2010 10:01 am
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.
-
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
- Attachments
-
- 30_elast8.in
- (4.21 KiB) Downloaded 403 times