[CP2K-user] BAND_STRUCTURE Keyword

Pasan Henadeera henad... at gmail.com
Thu Jun 24 06:22:58 UTC 2021


Hi, 
I tried to follow the given tutorial " exercises:2016_uzh_cmest:band_structure_calculation 
[CP2K Open Source Molecular Dynamics ] 
<https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation>  
" to get the band structure, however the keyword BAND_STRUCTURE used is not 
to be found in the documentation. 

Also if I try to run the script as is, it prints that the subsection 
BAND_STRUCTURE is unknown. Does this mean that a major change has occurred 
in the code? 
If so what should be the procedure to obtain the band structure using CP2K?


Thank you
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