[QE-users] data analysis/ band character

Marco Polo marqpolo at yahoo.com.mx
Mon Aug 20 16:29:21 CEST 2018


Dear quantum espresso users.


I am quite new using quantum espresso and in band calculations in general.

I would like to plot the band structure (spaguetti plot) including the 
band characters with colors. For example like in the following figure

http://gvallver.perso.univ-pau.fr/wp/wp-content/uploads/bands_Cu.png


My understanding is that the data of the partial bands (s, p, d, etc) of 
every atom is required.

Then I can include the color for example using gnuplot.

I have only the file  espresso.band1.gnu that includes total bands 
without any weight of the every atom.


Where can I find this datafiles? or how can I generate them?


Best regards,

Marco Polo


-- 
*************************************************
PhD Marco Polo Jimenez Segura

Department of Quantum Materials (Takagi group)
Max Planck Institute for Solid State Research
Heisenbergstrasse 1, Stuttgart 70569, Germany

Institut fuer Funktionelle Materie und Quantentechnologie 3
Universitaet Stuttgart
Pfaffenwaldring 57
70569 Stuttgart

Tel:+49 711-685-65192
Fax:+49 711-685-65271

email: M.Jimenez at fkf.mpg.de
http://www.fkf.mpg.de/employees/48589/5238404




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