Thanks Prof. Blaha. I tried it on my test case, andthe lines only
appear on the M, K, and GAMMA points now. So, it seems to work fine
now. The case.bands.agr plot does not show SIGMA like the
case.spaghetti_ps does. However, I can manually add the SIGMA (or other
special labels) in xmgrace
I've changed bz_lin.f in SRC_spaghetti and it seems to solve the
problem. Please try it.
Regards
On 02/23/2018 10:42 PM, Sergio Castillo Robles wrote:
Hi, thank you for your response,
I changed the data toler value from 1.d-07 to 1.d-05 by myself, and
recompiled with ./siteconfig, R
I quickly created a WIEN2k 17.1 test case (as shown below) and believe I
have reproduced the issue.
The 7_SrPtAs.bands.agr that was generated shows 6 lines between the M
and K labels with data toler /1.d-07/. The 5_SrPtAs.bands.agr that was
generated using data toler /1.d-05/ does not have
Hi, thank you for your response,
I changed the data toler value from 1.d-07 to 1.d-05 by myself, and
recompiled with ./siteconfig, R Compile/Recompile, S Select program,
spaghetti
but the problem still persist.
Who should i send the files to?
Thanks for your answer and your time
Regards
What did you change the data toler value to? The 1.d-07 [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15787.html
] to 1.d-05 [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16402.html
]?
You used bz_lin.patch [
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