[Pw_forum] is there a way to convert a 'PRIMVEC' block (from xcrysden) into 'celldm' understood by QE

Paolo Giannozzi paolo.giannozzi at uniud.it
Sat Sep 6 10:59:12 CEST 2014


On Fri, 2014-09-05 at 17:11 -0700, Hans Horn wrote:

> is there a way to convert a 'PRIMVEC' block (from xcrysden)
> into 'celldm' as understood by QE ?

I guess it is easier to convert the PRIMVEC block into
the CELL_PARAMETERS card

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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