[Wien] Question about large RKmax

Kyohn Ahn kyohn1004 at gmail.com
Thu Sep 14 15:34:47 CEST 2017


Dear WIEN2k users

I'm sorry.
In the last mail, the link was broken,,

I have a problem about large RKmax.
Please see the attached file:
There are some parts of bandstructure of my system
with various RKmax values.

In my case only a large RKmax (11~12) shows good results.
Is there anyone who had similar experiences?

# Details:
# The smallest Rmt = 2.5 (atomic distances are pretty long) /
# Heavy elements from Os to Bi line /

My biggest concern, really, is that
whether the results are in the "numerical linear dependency" problem
or not. Is there any other method to check the issue?

Thank you for reading this email.
Any response in this regard will be very helpful for me.

With best regards

- Kyohn
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