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

Bin Shao binshao1118 at gmail.com
Thu Nov 18 12:35:09 CET 2010

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
~/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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