Sorry, there is a mistake in my previous post. The BACKSPACE(2) should
be BACKSPACE(22).
I was able to reproduce the error (with gfortran 4.8.4 on Ubuntu 14.04
LTS), and changing line 1015 in SRC_mixer/mixer.F
from
write(22,*)':WARNING: K-list has changed'
to
BACKSPACE(22)
write(22,*)':WA
The change that has been incorporated already in mixer.F for the next
release is changing "write(22" to "write(21". This is KISS.
---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.num
Ok, thanks. I will make that change to "write(21" in my WIEN2k code to
be consistent with the next release.
Chibani, if it helps, attached is the new mixer.patch file. Please
ignore the mixer.patch in my previous post, which had a mistake in it
anyway. You can follow the same steps in the pr
I sent the figure to your e-mail that includes what I'm saying.
My structure is 2:2:2.
I can get the band structure from G to L or G to X.
I set the vector
(0 0 -1/2)
(0 0 0)
(0 0 1/2)
(1/2 1/2 0)
(-1/2 -1/2 0)
But, I can't get the band structure from W to L or W to X with fold
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