<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I think that kpoints.x in pwtools does a different thing. It generates a regular b1 x n2 x n3 grid of k-points (reduced by the symmetry of the Bravais lattice) which can be used to sample the BZ. It is not meant to generate a path in k-space (i.e. a sequence of points that can be used to plot a band structure).<div><br></div><div>HTH</div><div><br></div><div>GS</div><div><br><div><div>Il giorno 13/dic/2010, alle ore 12.24, 改王之王改王之王 ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite">I always use "xcrysden" to generate high symmetry k-point and then use this "bk.exe" (I have upload file)to generate all k-point which is along high symmetry.I never use pwtool,butI guess it may be the "kpoint.x".
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<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div></span>
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