[Wien] Number of charge concentration in the system

[halim said]

Dear Professor Pieper,
Thank you very much for your answer and clarification, and detailed answer.
Do you mean the total numbers of electrons is NE printed in file.in2?
Thank you for your answer.
Halim Said 

    Le Mercredi 1 novembre 2017 22h26, pieper <pieper at ifp.tuwien.ac.at> a écrit :
 

 You want to know the overall electron concentration? Why use Wien2k for 
that one?

If your unit cell is spanned by crystallografic basis vectors a,b,c then 
the volume is V=a*(b x c).

If your unit cell contains n_i atoms of elements nuclear charge Z_i the 
total number of electrons is N=sum_i(n_i*Z_i).

The concentration is c=N/V.

And yes, volume V as well as total number of electrons N are printed in 
Wien2k's result file ...


---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 01.11.2017 05:19, schrieb halim said:
> Dear Wien2k  users community,
> 
> I would like to ask you if we can get the results of  total number of
> concentration of the system from wien2k code
> 
> Looking forward your answer.
> 
> Halim Said
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