https://manual.cp2k.org/cp2k-8_2-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/BAND_STRUCTURE.html<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">he...@gmail.com schrieb am Donnerstag, 24. Juni 2021 um 08:22:58 UTC+2:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi, <div>I tried to follow the given tutorial "

<a href="https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation&source=gmail&ust=1624602904163000&usg=AFQjCNEI2cQGpxQNDnmsF3tBbJYNpP_Jmw">exercises:2016_uzh_cmest:band_structure_calculation [CP2K Open Source Molecular Dynamics ]</a>  " to get the band structure, however the keyword BAND_STRUCTURE used is not to be found in the documentation. <div><br></div><div>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? </div></div><div>If so what should be the procedure to obtain the band structure using CP2K?</div><div><br></div><div><br></div><div>Thank you</div></blockquote></div>