[Wien] How to plot the contour diagram of electron density using origin6.1?

[Pan Zhijun]

Hi,professor Blaha and Semen Gorfman,
      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.Butnow,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.Howto 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.
     Best regards.
                                                                       Yours
sincerely,

Z.J.


2006/1/13, Semen Gorfman <sgorfman at rz.uni-potsdam.de>:
>
> Hello!
>
> I did this procedure using MATLAB and I am quite sure it is relatively
> easy to plot electron density contours in Origin either.
>
> All what you need from WIEN2k is the CASE.RHO file, generated by lapw5
> program. In this file you may find the values of electron density
> (valence, deformation or total) on the grid points of plane. The plane
> itself, the number of points in the plane are specified in the
> case.in5 file.
>
> Best regards
> Semen Gorfman
>
>
> >  Hi,all users of wien2k,
> >      I want to plot the contour diagram of electron density using
> > origin6.1.Can I do that with origin?If it is practicable,how to do
> that?Who
> > would like to give me a detailed tutoring?
> > Any hint is appreciated.Thank you very much in advance.
> >      Best
> > regards.
>
>
> > Z.J.
>
>
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--
School of Materials Science and Engineering,
Shanghai Jiao Tong University,
P.R.China
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