[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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