[Re:04] How to convert spc into a E-vs.-k ASCII matrix?

Posted on : August 28, 2023 (Mon) 10:58:50

by Jerry Lee

I think I figured out how to plot the *.spc data in OriginPro.
you can open *.spc in MS Excel, and copy the data block into a matrix in OriginPro, and plot it in Contour.
The next step is to add the x-axis and y-axis ticks, which can be found in the header of each *.spc file, like the following.
### header for format (c)
# -0.1026023E+00 0.4376225E-01 200 5
# 1 '(x h 1/2)' 127 '(1/2 1/2 1/2)' 236 '(x h z)' 346 '(1/2 0 0)' 500 '(0 0 0)'
### end of header
see the 2nd line, the numbers are the bottom energy, top energy, and step, 5 (? I am still not clear yet)
in the 3rd line, the segments of k-path. I set 500 points for the total k-path, so they are 'W'(1st point), 'U' (127st point), 'T'(236th point), 'L'(346th point), and 'G'(last point 500), respectively.