[xcrysden] how to plot 3D fermi surface using XCrySDen

[Bin Shao]

Dear all,

I intended to plot the fermi surface by using XCrySDen. First I searched the
wien2k maillist and found some suggestions

I save the data and start the following to prepare the data for Fermi
surface plotting with XCrySDen (k points have been prepared without

shift as
required by XCrySDen) ---

x lapw1 -p
x lapwso -p
x lapw2 -so -fermi -p

so I ran the above command in cluster and put the files produced in parallel
mode, such as case.klist and case.output*, into one sigle file and then
transfer them to my PC. But when the XCrySDen read the data, there came a
error saying

ERROR: while excuting
exec
~/XCrySDen/bin/wn_readbakgen bakgen.def.

So if I use the XCrySDen without calling the wien2k command, which kind of
data did the program need to plot fermi surface?

Thank you in advanced!

Best regards,



-- 
Bin Shao, Ph.D. Candidate
College of Information Technical Science, Nankai University
94 Weijin Rd. Nankai Dist. Tianjin 300071, China
Email: binshao1118 at gmail.com
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