[CP2K-user] BAND_STRUCTURE Keyword

[Dmitry Ryndyk]

https://groups.google.com/g/cp2k/c/wTbTSzJKf_U/m/fIU9trCkAwAJ

Dmitry Ryndyk schrieb am Donnerstag, 24. Juni 2021 um 08:35:41 UTC+2:

>
> https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/BAND_STRUCTURE.html
>
> he... at gmail.com schrieb am Donnerstag, 24. Juni 2021 um 08:22:58 UTC+2:
>
>> 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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