[Pw_forum] about example06

[Paolo Giannozzi]

On Tuesday 04 July 2006 12:59, Ezad Shojaee wrote:

> I wanted to know that shouldn't we specify the displacements 
> of atoms in the input file?

you can if you really want to (and know how to do it)
but it is not needed: the code will automatically 
calculate appropriate displacement patterns

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