[Wien] How to Plot 1D Charge Density Using WIEN2k Data?

Peter Blaha peter.blaha at tuwien.ac.at
Tue Apr 15 17:10:57 CEST 2025


Please read the UG about   lapw5
It is fairly straight forward to calculated 1D densities.

Am 14.04.2025 um 15:47 schrieb Hadjer MEZIANI via Wien:
> Dear WIEN2k experts and users,
> 
> I am interested in plotting the charge density in 1D using data 
> calculated with WIEN2k.
> 
> Could someone kindly guide me on:
> 
> (i) how to extract the charge density information,
> 
> (ii) and from which file to retrieve the data needed for plotting the 
> charge density as a function of distance (in 1D) with all steps ?
> 
> I would be very grateful for your help.
> 
> Thank you in advance.
> 
> Best regards,
> 
> M. Hadjer
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
-------------------------------------------------------------------------



More information about the Wien mailing list