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