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<p>You are not giving enough information, it is not clear what is given by the program and what you are commenting, what space group do have?</p>
<p>An hexagonal does not need to have inversion, BN is one example<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de Dr. K. C. Bhamu <kcbhamu85@gmail.com><br>
<b>Enviado:</b> sábado, 31 de diciembre de 2016 07:53 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> [Wien] SPACE GROUP DOES NOT CONTAIN INVERSION</font>
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<div>Dear Prof. Peter</div>
<div>During the initialisation of a functionalised hexagonal 2D structure, I am getting the below message.</div>
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<div>SPACE GROUP DOES NOT CONTAIN INVERSION</div>
<div> Angle Gamma is exactly 120. degrees.</div>
<div> If this is supposed to be a hexagonal lattice, <b>STOP and put H lattice type</b></div>
<div> alpha(3) .gt. 91.0; reset to 90.1</div>
<div>0.0u 0.0s 0:00.01 0.0% 0+0k 0+224io 0pf+0w</div>
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<div>Is this a type of error? Should I put "H" lattice type of may continue?</div>
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<div>Wishing you all a very Happy New Year!!!</div>
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<div>Cheers ...!!!</div>
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<div>Sincerely</div>
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<div dir="ltr"><span style="color:rgb(0,0,0)"><br>
Dr. K. C. Bhamu<br>
(UGC-Dr. D. S. Kothari Postdoc Fellow)<br>
Department of Physics<br>
Goa University, Goa-403 206<br>
India<br>
Mob. No. +91-9975238952</span></div>
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