Dear Rajesh,

For your first question, I think if you plot the wavefunction from 
SystemLabel.bands.WFSX, then the answer is yes. The program Denchar plot the 
wavefunctions of selected bands (controlled by options: WFS.Write.For.Bands, 
WFS.Band.Min, WFS.Band.Max) for all the k points that you specify in %block 
BandLines. In the SystemLabel.bands file there is same number of k points. 

Of course you can reduce the number of k points by using %block 
WaveFuncKPoints. Then you use denchar and plot the data from 
SystemLabel.selected.WFSX (cp SystemLabel.selected.WFSX SystemLabel.WFSX). I 
don't think this option will affect the charge density in SystemLabel.RHO file. 

Kind regards,


Fanmiao Kong
Department of Materials, Trinity College, University of Oxford
Tel: +44 (0)7529931806 / +86 13162054601
16 Parks Road, OX1 3PH, Oxford, UK

-----Original Message-----
From: <> On Behalf Of 
Sent: 06 September 2022 09:56
Subject: [SIESTA-L] number of k-points in denchar

Dear Siesta members and expert users,
I am computing electron density using Denchar and it says "Generating values of 
wavefunction on the grid for k-point ##" Is this number of k-points same as 
written in SystemLabel.bands file? Is it the number given in %block BandLines?
What if I calculate for some selected bandlines to reduce this k-point number 
using SystemLable.selected.WFSX, will it give me the complete charge density?
Your help and suggestions would be highly appreciated.

SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (

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