[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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