<div dir="ltr"><div><div><div>I am simulating alpha quartz . When i tried to calculate band structure i need to define its k point values. As we know that alpha quartz falls under P3221 and trigonal structure. When i tried finding the k points brillouin zone values for the above said structure i came to know from wikepedia that trigonal structure of alpha quartz is represented by trapezohedral structure. But i couldn't find k points value to calculate band structure for both trigonal and trapezohedral. Any one could you kindly help me in this regard?
<br><i>How to define K-Points for bands calculation of alpha quartz in quantum espresso package? <br></i><br><br></div>Thanks and Regards<br></div>Santhosh<br></div>M.Tech - IIT H<br></div>