[xcrysden] Difficulties in selecting the bands to render the Fermi surface in WIEN2k interface

lung Fermin ferminlung at gmail.com
Wed Sep 30 11:07:36 CEST 2015


Dear Xcrysden community,

I want to render the Fermi surface of a system containing a few hundreds of
atoms. The case.output1 from WIEN2k gives 2813 bands.  In the pop up window
of "Select bands" in Xcrysden, the tick boxes of different band numbers are
merely resolved and they appears like
Band number: 2185
Band number: 1
Band number: 2186
Band number: 2
......
Band number:628
Band number: 2813
and it terminates. The bands which cross the Fermi energy are those of band
numbers 1XXX and I am not able to select them in this case. I tried to open
Xcrysden with a different X window but the problem persists.
Could someone please suggest me a way out?

Thanks in advance.

Best,
Fermin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/xcrysden/attachments/20150930/099ea2f5/attachment.htm 


More information about the XCrySDen mailing list