[Pw_forum] crystal structures' transformation

Paolo Giannozzi giannozz at nest.sns.it
Sun May 14 22:40:33 CEST 2006


On Saturday 13 May 2006 11:46, lan haiping wrote:

>  There are several  choices for us to describe   crystal structure
>  in  PWSCF. So i would like to know whether there are options or
>  tools for  the crystal structures transformation , e.g . 
>  crystal -->  angstrom ? 

one "transformation" is that at the startup the code will print 
coordinates in units of the lattice parameter, no matter how you
read them. 

Paolo
-- 
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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