[DFTB-Plus-User] How to plot density of spin ?
Cedric Crespos
cedric.crespos at u-bordeaux.fr
Thu Jan 29 12:04:07 CET 2026
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
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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
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Responsable MASTER CHIMIE / UNIVERSITE DE BORDEAUX
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