[Pw_forum] units of charge density and potential plots from pp.x plotted by Xrysden

[Paolo Giannozzi]

>From the top section of the input documentation file PW/Doc/INPUT_PW.*:

    All quantities whose dimensions are not explicitly specified are in
    RYDBERG ATOMIC UNITS. Charge is "number" charge (i.e. not multiplied
        by e); potentials are in energy units (i.e. they are multiplied by
e)

Paolo

On Wed, Feb 10, 2016 at 10:08 AM, meysam pazoki <meysam.pazoki at gmail.com>
wrote:

> Hi All!
>
> I have a short question about the units of charge density and potential
> plots of Xrysden (output of PP.X) > are they in the units of e/a03 and
> Hartree respectively?
> I need this for reply to referee and appreciate your reply and help to me.
> I attached one example of charge density plots of my calcs in Xcrysden.
>
> Thanks in Advance
> Best REgards
> /Meysam
>
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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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