Thankyou very much.<br><br><div class="gmail_quote">On Mon, Jul 30, 2012 at 12:58 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">No. For large cells you have to learn how to configure and use mpi correctly.<br>
<br>
Am 30.07.2012 09:21, schrieb alpa dashora:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5">
Dear Prof. Blaha,<br>
<br>
As per your suggestion, I am able to run the k-point parallel calculation.<br>
<br>
But in case of large systems, about 100 atoms, can I use this technique (with how many k-points?)?<br>
<br>
rgds,<br>
<br>
<br>
<br>
<br></div></div><div class="im">
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</div></blockquote><div class="HOEnZb"><div class="h5">
<br>
-- <br>
<br>
P.Blaha<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/<u></u>theochem/</a><br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Alpa Dashora<br>