[Wien] [SPAM?] spin charge density

[hpang@lzu.edu.cn]

Dear collegue, 


>   3. I want to plot the density contour with Orgin software, but when the
>file"rho" is imported to Orgin, it doesn't show the density correctly. How the
>data "rho" are treated ?

To my experience, the case.rho file could not be imported to origin directly. The
matrix dimension in case.rho is quite different from that of in origin. You define
nx and ny of the output density matrix in file case.in5. Since there are only 10
columns in file case.rho, each row in the density matrix actually includes many
rows in the file case.rho. So you have to change it into a real nx*ny matrix,
which origin can read. 

HPang