English (United Kingdom)
Institut de recherche de Chimie de Paris
Équipe : "interfaces, électrochimie et énergie"

Setting atom's relaxation states


Interactive setting of the relaxation of the atoms (layer by layer or individual setting).


Sows atom's relaxation state for any POSCAR or CONTCAR files.

  

Setting atom's relaxation states

Glycine adsorbed on alumina surface.

 

Dark blue: moving plane separating relaxed and frozen atoms

Red : relaxed atoms

Light Blue : frozen atoms

 

 
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