[CP2K-user] Warning in cryssym: Symmetry library SPGLIB not available

GENG YUAN yuange... at gmail.com
Sat Feb 20 00:12:42 UTC 2021


Dear CP2K users,

I am currently performing some geometry optimizations for my metallic 
systems. There is one warning message on my output file although my 
simulations successfully completed with the geometry optimization 
completed. Below is the warning detail:
**** WARNING in cryssym. F : 163 : : Symmetry library SPGLIB not available 
****
I tried to search and what I know now is the Spglib is a library for 
finding and handling crystal symmetries written in C. Another thing I 
notice is that this warning is related to the KPOINT setting. All my 
simulations with KPOINT setting have this warning, while this warning is 
gone for my simulations without KPOINT setting.
So my questions are: Why is this warning shown in my output file, is my 
KPOINT setting wrong? Will it affect the final energy results and how could 
I get rid of this warning if my simulations still need KPOINT settting. I 
have attached my input file here for your reference, any suggestions are 
welcome!

Many thanks in advance and have a nice weekend!
Sincerely,
Geng
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