[gpaw-users] Extracting Electronic Localization Function (ELF)

Michael Busch michael.busch at epfl.ch
Wed Feb 18 15:51:08 CET 2015


Dear all,

for a comparison of the electronic structure of different transition 
metal oxides i need to plot and compare the electronic localization 
functions (ELF).

According to my research a module to extract this property from the 
*.gpw file has been implemented but unfortunately I could not find any 
documentation on how to use it.

Would it be possible to get help on how to use this module to extract 
and plot the Electronic Localization function?

All the best

Michael

-- 
Dr. Michael Busch
Ecole polytechnique fédérale de Lausanne
Laboratory for Computational Molecular Design
CH-1015 Lausanne
Switzerland
Phone: +41 21 69 39753
Email: Michael.Busch at epfl.ch



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