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 <[email protected]> wrote: > > > On Sat, Feb 17, 2018 at 5:43 PM, Hayden Oliver <[email protected] > (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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