<div dir="ltr">Dear Ari,<div><br></div><div>Could you please share the references for the back-folding?</div><div><br></div><div>Best,</div><div>Xiaoming Wang<br><br>On Sunday, October 6, 2013 at 11:19:35 AM UTC-4, Ari Paavo Seitsonen wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Mohamed,<div><br></div><div>  As CP2K/QuickStep only uses Gamma point, one has to do a back-folding of the electronic states to the irreducible Brillouin zone. To my knowledge this has not yet been implemented though. I know two-three papers where such a scheme has been proposed, so if you or any one else is interested, one can try to do the implementation.</div>
<div><br></div><div>    Greetings from Zurich,</div><div><br></div><div>       apsi</div></div><div><br><br><div class="gmail_quote">2013/10/5 mohamed khuili <span dir="ltr"><<a href="javascript:" target="_blank" gdf-obfuscated-mailto="VsLZ4PSsS_IJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">khui...@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>I want you to help me calculate the band structure of the gamma point is that it is possible and how to insert it into the file input</div>
<div>thank you very much</div></div><span><font color="#888888">

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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br>-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=<wbr>*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=<wbr>-=*=-=*=-=*=-=*=-<br>  Ari P Seitsonen / <a href="javascript:" target="_blank" gdf-obfuscated-mailto="VsLZ4PSsS_IJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">Ari.P...@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.iki.fi%2F~apsi%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG0aHwDkzSRT8XFNp-VAYw9AsYKJg';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.iki.fi%2F~apsi%2F\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG0aHwDkzSRT8XFNp-VAYw9AsYKJg';return true;">http://www.iki.fi/~apsi/</a><br>
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