[DFTB-Plus-User] How to plot density of spin ?

[Bálint Aradi]

Dear Cedrik,

waveplot can plot densities for any spin channels.

See the PlottedSpin option in the input.

Best regards,

Bálint

On 1/29/26 12:04 PM, Cedric Crespos wrote:
> Dear all,
> could you please tell us if it is possible to visualize any density of 
> spin out of a spin-polarized DFTB+ calculations. We are interested by 
> representing the spin density map after adsorption of an hydrogen atom 
> onto graphene sheet.
> Many thanks for any helps
> Best
> Cedric
> 
> ----------------------------------------------------------------------------------------------------------------------------
> Dr CEDRIC CRESPOS
> cedric.crespos at u-bordeaux.fr
> Phone: +33 (0)5 40 00 63 10
> 
> Institut des Sciences Moléculaires / Groupe de Chimie Theorique
> CNRS UMR 5255 / Universite de Bordeaux
> 351 Cours de la Liberation, F-33405 TALENCE CEDEX - FRANCE
> ----------------------------------------------------------------------------------------------------------------------------
> Responsable MASTER CHIMIE    /   UNIVERSITE DE BORDEAUX
> ----------------------------------------------------------------------------------------------------------------------------
> 
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.uni-bremen.de/en/lmcqm/b-aradi

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