of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Email:
* halimazaari at gmail.com *
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On Fri, 2013-12-06 at 11:25 +, Alex Granov wrote:
> In QHA examples there is a file called *.fc and it seems that
> the file should be present to compute thermodynamics properties.
> Is fc file related to force constants
it is
> and how we can prepare it ?
phonon calculation for a grid
-Alex Granov??
??-??? (MIPT)Moscow, Russia
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Dear QE community,
I have read the PW/examples/EXX_example/README file:
"
...
Band structure ? yes and no. Obviously one computes wfc during the scf cycle
and their eigenvalues are printed in output. This can be sufficient to draw a
band structure or a DOS, but the problem arises when one
: elliotsmenkah at gmail.com
??? ??? ??? ??? elliotsmenkah at hotmail.com
webpage:
http://archive.knust.edu.gh/pages/sections.php?siteid=chemistry=806=2754
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