[Pw_forum] no interaction in my 2-D charge density contour

Paolo Giannozzi giannozz at democritos.it
Thu Jun 24 18:09:25 CEST 2010


On Jun 24, 2010, at 18:00 , chengyu yang wrote:

> how can I get a contour as a whole carbon nanotube,
> rather than a quarter ?

you get what you ask for. See the definition of variables
x0, e1, e2, in the input of pp.x .

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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