[Pw_forum] how to plot pseudopotential and real and pseudo wavefunction?

[Gabriele Sclauzero]

Dear Ziba

ziba zand wrote:
> Dear every one,
>  
> I am trying to plot pseudopotential and wavefunction by information 
> which are existed in the xx.upf & xx.pwfn.data files.

You can do a pseudopotential test calculation (iswitch.eq.2) with ld1.x (source code is in 
atomic/ directory). After the PP has been read by the program you can access all relevant 
data of the PP through internal variables of ld1 (see ld1inc module for the description). 
If you simply need wfcs, maybe they will be put in the .wfc .pwfc files, though not sure 
of that (please see files in atomic_doc/ for more precise information).

HTH

GS


> Unfortunately I can't do it.
> Would you please help me?
> Thanks in advance.
>  
> Yours,
> Ziba

Please specify your affiliation, thanks.

> 
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