[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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