[Pw_forum] Concerning Charge Density File
Hayden Oliver
holiver at tracy.com
Sat Feb 17 19:39:14 CET 2018
Thank you! That simplifies things immensely!
Hayden Oliver
TRACY
3000 Sierra Vista Way
Provo, UT 84606
On Feb 17 2018, at 11:29 am, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
>
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> On Sat, Feb 17, 2018 at 5:43 PM, Hayden Oliver <holiver at tracy.com (https://link.getmailspring.com/link/local-efefa336-d7d6-v1.1.4-22d9f20d@tracy-metals-01/0?redirect=mailto%3Aholiver%40tracy.com&recipient=pw_forum%40pwscf.org)> wrote:
>
> > 5.08748437 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
> > [...]
> >
> >
>
> > 590.0501827822 4.5000000000 200.0000000000 17 !!! <------------ First value in this row
> >
>
>
> This is the cutoff (for the charge density) in units of (2\pi/a)^2: (4.5*200)/(2*3.1415926/5.08748437)^2
> Paolo
> --
> 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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