[Pw_forum] Unit of pp.x charge

Paolo Giannozzi giannozz at democritos.it
Fri Feb 17 09:57:46 CET 2012


On Fri, 2012-02-17 at 11:35 +0800, WF wrote:

> cannot find the unit of the charge plot in the manual.
>  What is the unit of the charge plot?

as stated in the top line of the documentation  of input:

  All quantities whose dimensions are not explicitly specified
  are in RYDBERG ATOMIC UNITS

What may not be completely clear is that the charge is "number"
charge, i.e. not multiplied by e; potentials are energies, i.e.
multiplied by e. So, charge is in (Bohr radii)^{-3}

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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