[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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