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<p><font size="2" face="sans-serif">hello</font><br>
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<font size="2" face="sans-serif">I would like to locate a good reference/thesis etc with a description of k-point sampling appropriate/specific to </font><br>
<font size="2" face="sans-serif">monoclinic cells, if that exists at all. In case there exists any rule of thumb, general knowledge etc, I would appreciate that</font><br>
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<font size="2" face="sans-serif">After looking into the literature, I cannot really say there is anything specific, ie everything is too general as to identify a good</font><br>
<font size="2" face="sans-serif">strategy to choose your k-point set</font><br>
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<font size="2" face="sans-serif">After some experimenting, it seems to me it would be really cumbersome to determine an optimal/converged set of k-points, for instance,</font><br>
<font size="2" face="sans-serif">whether using shifted Monkhorst-Pack sets with even parameters or gamma-point centred odd numbers?</font><br>
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<font size="2" face="sans-serif">thanks in advance</font><br>
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<font size="2" face="sans-serif">Manuel </font><br>
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<font size="2" face="sans-serif">Dr Manuel Pérez Jigato, Chargé de Recherche<br>
Luxembourg Institute of Science and Technology (LIST)<br>
Materials Research and Technology (MRT)<br>
41 rue du Brill<br>
L-4422 BELVAUX<br>
Grand-Duché de Luxembourg<br>
Tel (+352) 47 02 61 - 584<br>
Fax (+352) 47 02 64<br>
e-mail manuel.perez@list.lu<br>
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