[Q-e-developers] wfc_dir for atomic wavefunctions

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu Nov 28 09:52:24 CET 2013


On Thu, 2013-11-28 at 14:36 +0600, Dmitry Korotin wrote:

> is there any reason why the .atwfc and .satwfc files are stored inside
> tmp_dir not wfc_dir during scf calculation? These files could be
> really huge and it is reasonable to store them in a scratch directory.

I don't think there is any special reason for such behavior. I agree
that the proper behavior is the one you propose

P.
> -- 
> Best regards,
> Dr. Dmitry Korotin
> 
> Institute of Metal Physics
> S. Kovalevskaya, 18
> 620990 Yekaterinburg
> Russia
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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