[Pw_forum] Strange pp.x output after vc-relax (v3.1)

Paolo Giannozzi giannozz at nest.sns.it
Tue Jun 27 17:13:57 CEST 2006

On Tuesday 27 June 2006 12:34, Steven Kirk wrote:

> The problem is that the output cell parameters (at least) in the output
> .XSF file are the ORIGINAL cell parameters, not the RELAXED cell
> parameters.

are you really sure you are reading the final data files and not 
something else? 

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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