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<span style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;">Dear wien2k community,</span><br>I do not fully understand the way kgen (and code in general) treats the structures <br>without inversion. <br>For standard GaAs structure, spacegroup #216, without inversion, when I do<br>calculations WITH spin-orbit, the kgen <br>$ x kgen -so<br>still informs that <br>"""<br><p>GaAs.ksym not present, using GaAs.struct because inversion is present<br> 24 symmetry operations without inversion<br> inversion added (non-spinpolarized non-so calculation)</p>"""<br>In fact, there is no inversion center in the system (and code is aware of that) <br>and there is spin-orbit, so the states k and -k are not the same (Indeed, they <br>are still connected by the time inversion, but technically it is different from <br>spacial inversion).<br><br>The manual is a bit cryptic about this part: It tells that the symmetry is lowered <br>only if the magnetic field is switched on, in which case one should use symmetso. <br><br>Does this mean that "under the hood" the code behaves correctly and in fact <br>uses time inversion and not spacial inversion or I should trick it into removing the <br>inversion from the symmetry if I do care about correct description of properties <br>which come from the lack of inversion center?<br><br><span style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;">Thank you in advance.</span><br style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;"><br style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;"><span style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;">Sincerely,</span><br style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;"><span style="font-family: Arial, Tahoma, Verdana, sans-serif;" data-mce-style="font-family: Arial, Tahoma, Verdana, sans-serif;">Mikhail Nestoklon</span><br><br><br>
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