<div dir="ltr">Please, read the highlighted paragraph right under the input example on the page you given the link to.<br><br>On Thursday, January 10, 2019 at 12:04:29 PM UTC+3, snkhan wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr"><div>Hello All</div><div>i am using cp2k@6.1 and going through all the tutorials. The band gap tutorial did not worked out for me</div><div><br></div><div><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/<wbr>exercises:2016_uzh_cmest:band_<wbr>structure_calculation</a></div><div><br></div><div>The error was <span style="color:rgb(255,0,0)">"unknown subsection BAND_STRUCTURE of section KPOINTS"</span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(0,0,0)">Modifying the input  as <br></span></div><div><span style="color:rgb(0,0,0)"><br></span></div><div><span style="color:rgb(0,0,0)">    &PRINT<br>        &BAND_STRUCTURE<br>            ADDED_MOS 2<br>            FILE_NAME <a href="http://graphene.bs" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fgraphene.bs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFGkwLA94zfawsdtqQXDNHOwF1Rcw';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fgraphene.bs\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNFGkwLA94zfawsdtqQXDNHOwF1Rcw';return true;">graphene.bs</a><br>            &KPOINT_SET<br>                  UNITS B_VECTOR ! work around a bug in CP2K, should be B_VECTOR<br>                  SPECIAL_POINT 0.0   0.0   0.0<br>                  SPECIAL_POINT 1./2. 0.0   0.0<br>                  NPOINTS 5<br>            &END KPOINT_SET<br>        &END BAND_STRUCTURE<br>    &END PRINT<br>  &END DFT</span></div><div><br></div><div><br></div><div>The error now  is <br></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)">SCF WAVEFUNCTION OPTIMIZATION<br><br>  Step     Update method      Time    Convergence         Total energy    Change<br>  ------------------------------<wbr>------------------------------<wbr>------------------<br><br>Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation.</span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)"><br></span></div><div><span style="color:rgb(255,0,0)"></span><font color="#000000">I have attached the input file. what i am missing......</font><br></div></div></blockquote></div>