[Pw_forum] Relationship between pseudo-charge and wave function
Paolo Giannozzi
giannozz at nest.sns.it
Thu Jun 12 16:01:48 CEST 2003
Hi
> I want to figure out wave functions with gamma point.
> [...] Could give me an advise or a reference for it?
I am not sure I understand your problem. Do you want to plot
wavefunctions obtained with the Gamma-only code (pwg.x) ?
or to plot wavefunctions at Gamma obtained with the "normal"
(pw.x) code ? Are there ultrasoft PP in your calculation or not?
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050509412
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