Hi Padmaja,<br><br>Please, study the example05<br>example05:<br> This example shows how to use pw.x and postprocessing codes to<br> make a contour plot in the [110] plane of the charge density for<br> Si, and to plot the band structure of Si.<br>
<br><br>The code is not aware of the name of the symmetry points (as far as I know). You should. If you are studying a cubic material, you can find the names and coordinates of the high symmetry points in a solid state physics or semiconductor textbook or in one of the hundreds of articles on band calculations. <br>
If your crystal has a not so usual lattice, you can use the names defined in the book <br><div class="booktitle"><h1>The Mathematical Theory of Symmetry in Solids: </h1><span class="subtitle">Representation Theory for Point Groups and Space Groups</span></div>
<div class="bookcover"><a href="http://books.google.com/books?id=lMdNv_wbu2IC&printsec=frontcover&hl=es&source=gbs_ge_summary_r&cad=0"><img src="http://bks5.books.google.com/books?id=lMdNv_wbu2IC&printsec=frontcover&img=1&zoom=1&edge=curl&sig=ACfU3U3ZI_sIdSFqlTu-WuqN4VbLRJ5Z6Q" alt="Cubierta delantera" title="Cubierta delantera" id="summary-frontcover" border="1" width="128"></a></div>
<div><a href="http://www.google.com/search?hl=es&tbo=p&tbm=bks&q=+inauthor:%22Christopher+Bradley%22" class="secondary">Christopher Bradley</a>, <a href="http://www.google.com/search?hl=es&tbo=p&tbm=bks&q=+inauthor:%22Arthur+Cracknell%22" class="secondary">Arthur Cracknell</a></div>
<br><a href="http://books.google.com/books?id=lMdNv_wbu2IC&printsec=frontcover&dq=bradley+symmetry&source=bl&ots=Nle4sptJFT&sig=68EASNmZCFBcppbWHbe3_1gSq0c&hl=es&ei=X5W5TYDRBIfe0QGLsaTgDw&sa=X&oi=book_result&ct=result&resnum=1&ved=0CBYQ6AEwAA#v=onepage&q&f=false">http://books.google.com/books?id=lMdNv_wbu2IC&printsec=frontcover&dq=bradley+symmetry&source=bl&ots=Nle4sptJFT&sig=68EASNmZCFBcppbWHbe3_1gSq0c&hl=es&ei=X5W5TYDRBIfe0QGLsaTgDw&sa=X&oi=book_result&ct=result&resnum=1&ved=0CBYQ6AEwAA#v=onepage&q&f=false</a><br>
<br>or define your own names, i.e, A,B,C, ... , specifying the coordinates of the points.<br><br>Personally I do not like the postscript file generated with plot bands. I generally use the data file, and make my band diagram with gnuplot (a heavy of work). If you just want to add the letters, you may edit the postcript file. <br>
<br>pstoedit - f xfig <a href="http://file.ps">file.ps</a> file.fig<br><br>edit it with xfig, and export to EPS. <br><br><br>---------- Mensaje reenviado ----------<br>From: Padmaja Patnaik <<a href="mailto:padmaja_patnaik@yahoo.co.uk">padmaja_patnaik@yahoo.co.uk</a>><br>
To: <a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>Date: Thu, 28 Apr 2011 05:34:15 +0100 (BST)<br>Subject: [Pw_forum] About band plot<br>Hi All<br>I had put this query last tuesday but didnt get any response. Thats why asking it again. While plotting band structure, in
the output ps file the code doesn't mention the high symmetry points
Gamma, K, L etc. along the X axis. How to do that? <br><br>Thanks in advance<br><br>Padmaja Patnaik<br>
Research Scholar<br>
Dept of Physics<br>
IIT Bombay<br>
Mumbai, India<br clear="all"><br>-- <br><div><br></div>
<div><br></div>Eduardo Menendez<br>Departamento de Fisica<br>Facultad de Ciencias<br>Universidad de Chile<br>Phone: (56)(2)9787439<br>URL: <a href="http://fisica.ciencias.uchile.cl/%7Eemenendez" target="_blank">http://fisica.ciencias.uchile.cl/~emenendez</a><br>