Dear Matthias and Tiziano,<div> </div><div>thank you. I will have a look.</div><div> </div><div>Dima </div><div class="gmail_quote"><div dir="auto" class="gmail_attr">tiz...@chem.uzh.ch schrieb am Donnerstag, 10. Dezember 2020 um 09:12:50 UTC+1: </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear Dmitry, you can find an updated version of the cp2k_bs2csv.py in the cp2k-output-tools project here: <a href="https://github.com/cp2k/cp2k-output-tools/blob/develop/cp2k_output_tools/scripts/bandstructure.py" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://github.com/cp2k/cp2k-output-tools/blob/develop/cp2k_output_tools/scripts/bandstructure.py&source=gmail&ust=1607677215048000&usg=AFQjCNHAKA_z-1qXer2JMUPI4Lf37v-QGw">https://github.com/cp2k/cp2k-output-tools/blob/develop/cp2k_output_tools/scripts/bandstructure.py</a> Installation via pip is best: pip install cp2k-output-tools It should then be available as cp2k_bs2csv Depending on your system you may have to use `pip3` instead of `pip` to use Python 3, or call `pip` with `--user`: `pip install --user cp2k-output-tools`, and/or add the directory `$HOME/.local/bin` to your `$PATH`. Best regards, Tiziano On 12/9/20 11:15 PM, 'Dmitry Ryndyk' via cp2k wrote: > Dear all, > > as far as I can see, the format of the output file is changed in the > developing version (or maybe earlier). > The cp2k_bs2csv.py script does not work anymore. > Did somebody modify it? > > Best wishes, > Dmitry > > <a href data-email-masked rel="nofollow">2...@gmail.com</a> schrieb am Montag, 22. Juni 2020 um 20:52:41 UTC+2: > > Answering my own question: > > Each 'material.bs-setN.csv' file is the set of energies for all > points between the corresponding set of k points, so in order to > plot the full band structure between all k-point sets, each file > needs to be loaded. > > One could make the argument for returning a single CSV file rather > than multiple, but in the case of disjointed paths, distinct files > is preferred. Hopefully this answers any questions future users > might have. > > -Brian > > -- > You received this message because you are subscribed to the Google > Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, send > an email to <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> > <mailto:<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>>. > To view this discussion on the web visit > <a href="https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%40googlegroups.com" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%2540googlegroups.com&source=gmail&ust=1607677215049000&usg=AFQjCNH_9c5wJiDsbWWhMsG6LpQ1s1cJzw">https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%40googlegroups.com</a> > <<a href="https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=de&q=https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1607677215049000&usg=AFQjCNEL03INYpN0n5W2UDa4mqBCxTsUaw">https://groups.google.com/d/msgid/cp2k/817b82bf-95a0-4dd3-b6fc-0d1740eea246n%40googlegroups.com?utm_medium=email&utm_source=footer</a>>. -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=de&q=http://www.chem.uzh.ch&source=gmail&ust=1607677215049000&usg=AFQjCNGqaR6N13rcn4A64c3UARWG_W1v8A">www.chem.uzh.ch</a> <a href data-email-masked rel="nofollow">tiz...@chem.uzh.ch</a> </blockquote></div>