<div dir="ltr">Hi Tiziano, <div>Thanks for your kind remind !</div><div>That helps! 在 2018年3月19日星期一 UTC+8下午4:53:23，Tiziano Müller写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Tianshu On 19.03.2018 03:58, Tianshu Jiang in Beijing wrote: > By the way, in this page: > <a href="https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2016_uzh_cmest%3Aband_structure_calculation\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGXCoOJv_BMFFkSpQh9g-zDpubUow';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2016_uzh_cmest%3Aband_structure_calculation\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGXCoOJv_BMFFkSpQh9g-zDpubUow';return true;">https://www.cp2k.org/exercises:2016_uzh_cmest:band_structure_calculation</a>, how > to get the final band structure after transforming the *.bs file to .CSV > file? I did not major in physics or chemistry, so the meaning of each > row is ambiguous for me. The first 3 columns are coordinates in reciprocal space (the path through the Brillouin zone), the remaining columns the respective relative energy values (in eV). In last years exercise there is a two-line gnuplot example on how to plot them: <a href="https://www.cp2k.org/exercises:2017_uzh_cmest:pdos" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2017_uzh_cmest%3Apdos\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFfSIBMpx3BlxiHHkWW3pTmHVh2ag';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2017_uzh_cmest%3Apdos\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFfSIBMpx3BlxiHHkWW3pTmHVh2ag';return true;">https://www.cp2k.org/exercises:2017_uzh_cmest:pdos</a> Best regards, Tiziano > > 在 2018年3月19日星期一 UTC+8上午2:38:14，Junbo Chen写道： > > Hi Tianshu, > > I found the plot script inside the tar.gz file from the page you > linked, as "plot_band.plt". > > Junbo > > On Sunday, March 18, 2018 at 3:43:03 AM UTC-4, Tianshu Jiang in > Beijing wrote: > > Hello, everyone ! > I am studying the tutorial of CP2K. But I could not find the > scripts of plotting band structure of graphene. In this chapter: > <a href="https://www.cp2k.org/exercises:2015_ethz_mmm:bs" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2015_ethz_mmm%3Abs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNExe2Xp9f6DtUk4-eikIpLgFE5CWQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2015_ethz_mmm%3Abs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNExe2Xp9f6DtUk4-eikIpLgFE5CWQ';return true;">https://www.cp2k.org/exercises:2015_ethz_mmm:bs</a> > <<a href="https://www.cp2k.org/exercises:2015_ethz_mmm:bs" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2015_ethz_mmm%3Abs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNExe2Xp9f6DtUk4-eikIpLgFE5CWQ';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fwww.cp2k.org%2Fexercises%3A2015_ethz_mmm%3Abs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNExe2Xp9f6DtUk4-eikIpLgFE5CWQ';return true;">https://www.cp2k.org/exercises:2015_ethz_mmm:bs</a>>, the > plot_band.plt script could not be found. > Does anyone know where to find the file? > I will appreciate for your help. > > -- > 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="javascript:" target="_blank" gdf-obfuscated-mailto="vFhop4JOAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a> > <mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="vFhop4JOAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="vFhop4JOAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> > <mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="vFhop4JOAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>>. > Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</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" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;">www.chem.uzh.ch</a> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="vFhop4JOAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">tizia...@chem.uzh.ch</a> </blockquote></div></div>