[CP2K-user] [CP2K:16832] warning when doing mixed force_eval calculation

Junbo Lu lujunbo15 at gmail.com
Mon Apr 11 09:10:59 UTC 2022

Hello everyone,
  I am using mixed force_eval for thermodynamic integration. But I get an 
warning in the output file:
 *** WARNING in force_env_methods.F:1090 :: ASSERTION (cond) failed at   ***
 *** line   1091 Error (0.259964E-11) in computing numerical derivatives ***
 *** larger then(0.100000E-11) .                                         ***
  How do I solve this warning? The attached are my input and output files.
  With my best regards,

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