<div>Hi,professor Blaha and Semen Gorfman,</div>
<div> If I set nxp as 100 and npy as 100 in the file case.in5,the arrangement of data in the file case.rho is 5 columns and 2000 rows.But now,I must change the case.rho (5 columns and 2000 rows) into 100 columns and 100
rows.Only after finishing that transform,the data can be inport the matrix of origin6.1.How to transform 5 columns and 2000 rows into 100 columns and 100 rows is the point I do not know. Please help me to do the transform.Thank
you in advance.</div>
<div> Best regards.</div>
<div> Yours sincerely,</div>
<div> Z.J.<br><br> </div>
<div><span class="gmail_quote">2006/1/13, Semen Gorfman <<a href="mailto:sgorfman@rz.uni-potsdam.de">sgorfman@rz.uni-potsdam.de</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hello!<br><br>I did this procedure using MATLAB and I am quite sure it is relatively<br>easy to plot electron density contours in Origin either.
<br><br>All what you need from WIEN2k is the CASE.RHO file, generated by lapw5<br>program. In this file you may find the values of electron density<br>(valence, deformation or total) on the grid points of plane. The plane
<br>itself, the number of points in the plane are specified in the<br>case.in5 file.<br><br>Best regards<br>Semen Gorfman<br><br><br>> Hi,all users of wien2k,<br>> I want to plot the contour diagram of electron density using
<br>> origin6.1.Can I do that with origin?If it is practicable,how to do that?Who<br>> would like to give me a detailed tutoring?<br>> Any hint is appreciated.Thank you very much in advance.<br>> Best<br>
> regards.<br><br><br>> Z.J.<br><br><br>_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></blockquote></div><br><br clear="all"><br>-- <br>School of Materials Science and Engineering,<br>Shanghai Jiao Tong University,<br>P.R.China