I have a question for calculating band structure.

Chanwoo Noh eric... at gmail.com
Sat Jul 1 09:56:39 UTC 2017


Dear all,

I want to calculate the band structure of the MoS2 layer.
I made the input file by referring to the following exercise: 
https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation
In this exercise, BAND_STRUCTURE option is in the FORCE_EVAL -- DFT-- 
KPOINTS section, 
but I found that BAND_STRUCTURE option is in the FORCE_EVAL-- DFT--PRINT 
section in the manual homepage 
https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/BAND_STRUCTURE.html
.
Which one is right??
Where can I get any example input file for band structure calculation?


Chanwoo Noh,
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