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<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Dear All,</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>I am calculating a system with tetragonal symmetry
(I-4, group No. 82). The lattice parameters are 5.037 and 10.278 A,
respectively. When I run the ‘init’, the k-point mesh was automatically
determined as a cubic case by the code regardless the actual k-points I inputted.
For example, inputting the k-points as 10, 50, 100, and 120, the code
determined k-meshes are 2x2x2, 3x3x3, 4x4x4, and 4x4x4, respectively. </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>My question is why for the tetragonal unit cell, the
k-point mesh was determined as a cubic unit cell?</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Thank you for your attention.</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Best wishes</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Dr Y Song</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Department of Materials</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Queen Mary, </span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'>University</span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>
of </span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>London</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Mile </span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'>End Road</span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>,
</span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;
font-family:Arial'>London</span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'> </span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>E1
4NS</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>UK</span></font></p>
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