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
