[Pw_forum] Phonons calculations

BOUYER Frédéric 153746 FB153746 at ATIL.CEA.FR
Thu Jun 24 11:04:07 CEST 2004


Dear users,
 
Could you please tell me where to find the input data format of the phgc.x
program ?
 
If it is in the cg_readin.f90 file, could you please explain a little the
following keywords ?
 
-          asr
-          tr2_ph
-          nmodes
-          deltatau
-          nderiv (I guess the finite differences +a and -a applied to each
position of all atoms, and not only +a)
-          first
-          last
 
 
Many thanks in advance.
 
Frédéric
 
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CEA VHR MARCOULE
F. Bouyer
DTCD / SECM / LCLT - Bât 208
BP 17171
30207 Bagnols-sur-Cèze Cedex - France
Tel : (+33) 4 66 79 69 04
Fax : (+33) 4 66 79 66 20
Email : frederic.bouyer at cea.fr
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