[Pw_forum] compatibility between pseudopotential choice and input_dft token

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Apr 8 16:26:54 CEST 2013


On Mon, 2013-04-08 at 15:55 +0200, Cristian Degli Esposti Boschi wrote:

> The question is on how the code works internally; at the beginning
> of the output there is a warning "Any further DFT definition will be 
> discarded", and I wonder what it means exactly...

it means that what is specified as "input_dft" is used, what is written
in the pseudopotential files is discarded.

P.
-- 
 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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