[QE-users] XCrystDen

[Paolo Giannozzi]

There is an auxiliary code, "pp.x" that read the charge density file,
extract or computes the required quantity, prints it into various formats
(xsf, cube) readable by plotting codes like  xcrysdens. See examples in
PP/exaples/ using pp.x, input documentation PP/Doc/INPUT_PP.*

Paolo

On Tue, Mar 10, 2020 at 10:13 AM De Gary, Alban <Alban.DeGary at evotec.com>
wrote:

> Dear users,
>
>
>
> I’m a new user (2nd year master student) on Quantum Espresso and I’m
> trying to get used to it. I performed some calculations with interesting
> results, but each time I found an charge-density.dat. I’m interested to see
> what’s inside, but unfortunately, it’s binary coded. I have intuited that
> it can be opened with XCrystDen. All the time I have this file and try to
> open it (View) with XCrystDen it crashes. Can you help me ?
>
>
>
> Your sincerely,
>
> Alban
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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