[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
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