[Pw_forum] Concerning Charge Density File

[Paolo Giannozzi]

On Sat, Feb 17, 2018 at 5:43 PM, Hayden Oliver <holiver at tracy.com> 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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