[CP2K-user] precision definition in cp2k
Wei Lai
wei.... at gmail.com
Fri May 17 13:40:12 UTC 2019
Dear cp2k developers,
I have a couple of questions regarding the precision definition in cp2k.
1) I could see that the double precision is defined as
SELECTED_REAL_KIND(14, 200) in base/kinds.F. I am wondering why a decimal
digit of 14 instead of 15 was used? Could I switch to (15,307)?
2) I am wondering where single precision is used. It seems that single
precision types were defined but double precision was the default. So by
default all cp2k is double precision?
Thanks, Wei
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