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

[ziba zand]

Dear all,

I attempted to make an input file for ld1.x, but I wasn't successful.
Would you please send me an example of input file for it?

Thanks in advance,

Ziba



On Thu, Feb 26, 2009 at 12:01 PM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

> 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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> >
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>
> --
>
>
> o ------------------------------------------------ o
> | Gabriele Sclauzero, PhD Student                  |
> | c/o:   SISSA & CNR-INFM Democritos,              |
> |        via Beirut 2-4, 34014 Trieste (Italy)     |
> | email: sclauzer at sissa.it                         |
> | phone: +39 040 3787 511                          |
> | skype: gurlonotturno                             |
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