<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Prof.Blaha,<div><br></div><div>Since I introduced WIEN2k in my office, I have been trying to get used to it with the assistance of Dr.Inukai, postdoctoral fellow at Nagoya University.</div><div><br></div><div>May I have two questions in running the WIEN2k?</div><div><br></div><div>1) I can print out the output1 file and transfer a large amount of data into my Macintosh personal computer to drive Igor. In the case of complex alloys with a large unit cell (52 atoms per unit cell in my present work), it is not so easy to locate the Fourier coefficients at the symmetry point N across the Fermi level. So I tried to single out the Fourier coefficients only at the symmetry point N, using the XCrysDen. First, I selected the center of the bcc Brillouin zone, i.e., the point N. But I realized that at least another point like Gamma must be selected. Having done this, I still had a long list of FF at both symmetry points N and Gamma. Can I single out FF only at the symmetry point N?</div><div><br></div><div>2) According to the instruction, nband=1.35*ne+5. Could you tell me the definition of the number of electrons ne? Is this the number of electrons per unit cell or that per atom in the valence band or something else?</div><div><br></div><div>Two other inquiries:</div><div><br></div><div>1) I started to use the WIEN2k software since the middle of December after completing the purchasing procedure. I sent Prof.Schwarz all information about payment by fax. I wrote him email to urge him to send the invoice. However, I have not heard from him anything yet. Since I use the Governmental Fund to purchase the WIEN2k, I must pay for it by the end of January. Could you immediately send the invoice to me by ordinary air mail? It must be the original. Otherwise, I cannot use my fund.</div><div><br></div><div>2) I am interested in participating the 17th WIEN2k workshop this summer. According to the website, we simply attend the lectures without our own presentation. Am I right?</div><div><br></div><div>With my best regards,</div><div><br></div><div>Uichiro Mizutani</div><div><br><div><div>On 2009/12/29, at 21:02, Peter Blaha wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Dear WIEN2k users,<br><br>The 17th WIEN2k workshop will be held for the first time in Nantes, France, at the<br>"Institut des Materiaux Jean Rouxel" (IMN), from Monday, July 5th to Wednesday, July 7th, 2010.<br><br>As usual, this will be an ideal possibility to learn more about WIEN2k, featuring lectures<br>about WIEN2k as well as extensive hands-on sessions, where you can learn all practical details directly<br>from the developers.<br><br>In connection with this event, the first edition of the<br> International Conference on Advanced Materials Modelling (ICAMM)<br>will be held at the same place from Thursday, July 8th to Sunday, July 10th, 2010.<br>This might be an ideal possibility for a fresh PhD student to attend his first conference....<br><br>Please see the website at <a href="http://www.cnrs-imn.fr/ICAMM_2010">http://www.cnrs-imn.fr/ICAMM_2010</a> for more details.<br><br>I wish you a Merry Christmas and a happy new year 2010<br>-- <br>-----------------------------------------<br>Peter Blaha<br>Inst. Materials Chemistry, TU Vienna<br>Getreidemarkt 9, A-1060 Vienna, Austria<br>Tel: +43-1-5880115671<br>Fax: +43-1-5880115698<br>email: <a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a><br>-----------------------------------------<br>_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br><br></div></blockquote></div><br><div> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div>======================================================<br> Dr.Uichiro Mizutani<br> Emeritus Professor of Nagoya University<br> Senior Fellow of Nagoya Industrial Science Research Institute<br> Email: <a href="mailto:mizutani@nisri.jp">mizutani@nisri.jp</a><br> URL: <a href="http://www.sky.sannet.ne.jp/uichiro/">http://www.sky.sannet.ne.jp/uichiro/</a><br>======================================================</div></div></span> </div><br></div></body></html>