<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">See this video from one of the WIEN2k lectures given by Prof. Blaha<div class=""><br class=""></div><div class=""><a href="https://www.youtube.com/watch?v=_2O38qvabZo" class="">https://www.youtube.com/watch?v=_2O38qvabZo</a></div><div class=""><br class=""></div><div class="">He follows step-by-step the example of TiC that is in the user’s guide, including the calculation of the band structure.</div><div class=""><br class=""></div><div class="">This helped me a lot!</div><div class=""><br class=""></div><div class="">Cheers,</div><div class="">Marcelo</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 30 Jan 2018, at 13:26, Majid Yazdani <<a href="mailto:yk.majid@gmail.com" class="">yk.majid@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="gmail_default" style="font-size:large"><br clear="all" class=""></div><div class=""><div class="gmail_default" style="font-size:large">
<div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">Dear all </div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">I compiled the WIENncm code using the ifort11 successfully.</div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">I also performed the scf and density of states calculations using this code. </div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">Now I'm trying to do the band structure calcuations using WIENncm code. But, I don't know how to do it. </div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">I studied the user guide of this code and searched the mailing list, but I cannot find anything about the band structure calculations. </div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">Could you explain me the band structure plotting with WIENncm code, step by step, please?</div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;"><br class=""></div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">Best regards</div><div class="gmail_default" style="font-family: arial, sans-serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; background-color: rgb(255, 255, 255); font-size: large;">M. Yazdani-Kachoei</div>
</div><br class=""></div>-- <br class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><span style="font-size:12.8px" class=""><font color="#cccccc" class="">Majid Yazdani Kachoei,</font></span><div class=""><span style="font-size:12.8px" class=""><font color="#cccccc" class="">PhD scholar of Physics</font></span><div style="font-size:12.8px" class=""><font color="#cccccc" class="">Department of Physics, Faculty of Science,<br class="">University of Isfahan (UI), Hezar Gerib Avenue,<br class="">81744 Isfahan, Iran.</font></div></div></div></div></div></div>
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