<div dir="ltr"><br>Hi, for periodic boudary code, the only possible way is to<br>build a large enough cell . It means that you can simulate<br>something 'periodic ' bent systems.<br><br>By the way, BigDFT in abinit community can handle<br>
with free boundary systems. <br><br><div class="gmail_quote">On Fri, Sep 19, 2008 at 12:37 AM, ali kazempoor <span dir="ltr"><<a href="mailto:kazempoor2000@yahoo.com">kazempoor2000@yahoo.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit;" valign="top">
<div>Dear all</div>
<div> Is there (in dft codes like espresso) any method like supercell method to simulate bent system like nanobelt(bent one dimensional system)?</div>
<div>or it must be used from non-periodic condition (open boundary condition)?</div>
<div>thanks</div>
<div>Ali kazempour,Isfahan university of technology,Isfahan, Iran </div></td></tr></tbody></table><br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>
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