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:[email protected]] Sent: 2012?2?17? 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 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
