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

[lan haiping]

Hi,
Take a look at $QE/atomic_doc/pseudo**,
there are documents and examples for ld1.x

On Sat, Feb 28, 2009 at 8:57 PM, ziba zand <ziba.zand at gmail.com> wrote:

> 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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>
>
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-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
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