[Pw_forum] Unit of pp.x charge

WF kalamaillist at gmail.com
Fri Feb 17 13:25:12 CET 2012

This is stated in pw.x, cp.x and neb.x help documetations, however pp.x
manual doesn't say that so I am not sure whether it is still applicable. And
due to I made an error in summation of the charge density and volume, I
thought it is not (Bohr)-3. 
Thanks for your help very much.

-----Original Message-----
From: Paolo Giannozzi [mailto:giannozz at democritos.it] 
Sent: 2012年2月17日 16:58
To: WF
Cc: PWSCF Forum
Subject: Re: [Pw_forum] Unit of pp.x charge

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

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}

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

More information about the users mailing list