[QE-users] Unit for the output of average.x

[Dingfu Shao]

Dear QE developers and users:

I am wondering what should be the unit of the planar average data got from
the average.x

 I am calculating the planar average of charge density within a energy
window. What I did is firstly using pp to get the integrated local density
of states (ILDOS) of that energy window with plot_num=10, then using
average.x to get the planar average.

In this case, what is the unit of the second column (say, rho(z)) of  the
output file? I thought since the DOS has a unit of states/eV, the
integration of DOS within a energy window should get some states or
electrons. Then the unit of rho(z) should be electron/bohr. But seems it is
not. In my case the energy window I concerned contains one electron,
However, if I directly integrate  rho(z), I can only get a very small
value. If I assume the unit is electron/(bohr^3), the integretion of
rho(z)*A is also smaller than one (here A is the area of xy plane).

Can you help me about it? Thank you very much!

Best,

Ding-Fu



*Ding-Fu Shao, Ph. D.*


*Department of Physics and Astronomy, University of Nebraska-Lincoln*

*Lincoln, NE **68588-0299*

*Email: dingfu.shao at gmail.com <dingfu.shao at gmail.com>*
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