[Pw_forum] symmetry operations

Miguel A. Salvadó mass at uniovi.es
Thu May 25 11:31:55 CEST 2006


Thanks Stefano and Paolo. I think now I am able to run my calculations OK.

Best wishes

Miguel Angel

-----Mensaje original-----
De: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] En nombre de
Paolo Giannozzi
Enviado el: jueves, 25 de mayo de 2006 10:40
Para: pw_forum at pwscf.org
Asunto: Re: [Pw_forum] symmetry operations

On Thursday 25 May 2006 10:36, Paolo Giannozzi wrote:

> and atomic positions in
> - cartesian coordinates, either A or a.u., 

and also in units of the lattice parameter a=celldm(1)

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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