Dear Rahul, search for "BandLines" in the SIESTA manual and you'll find the answer to your question.
Best Zeila On Thu, May 13, 2021 at 10:00 PM RAHUL SURESH <drrahulsur...@gmail.com> wrote: > Hi Users, > So my question was for the following tag in a SIESTA input file. *What > exactly do the values in the first column mean? Why are they in an > increasing order?* > > # -- BAND-STRUCTURE-ANALYSIS -- > > BandLinesScale pi/a > > %block BandLines > 1 0.0000 0.0000 0.5000 A > 20 0.5000 0.0000 0.5000 L > 25 0.5000 0.0000 0.0000 M > 30 0.0000 0.0000 0.0000 \Gamma > 35 0.0000 0.0000 0.5000 A > 40 0.6666 0.3333 0.5000 H > 45 0.6666 0.3333 0.0000 K > 50 0.0000 0.0000 0.0000 \Gamma > %endblock BandLines > > -- > *Regards,* > *Rahul * > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- --------------------------------------------------------------- *Zeila Zanolli *| associate professor, Utrecht University Steering Committee, European Theoretical Spectroscopy Facility http://www.etsf.eu/ Treasurer and Board Member, Young Academy of Europe http://yacadeuro.org/ http://zeilazanolli.wordpress.com/home Twitter: @ZeilaZanolli <https://vpn.icn2.cat/proxy/32d9bc05/http/intranet/Lists/Institutional%20signature/@ZeilaZanolli> ----------------------------------------------------------------
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
