Basis set file name differs in the output and the input file

Tamás Bihari tamas... at gmail.com
Thu Jul 14 14:26:05 UTC 2016


Dear All,

We are testing a freshly compiled 3.0 version of CP2K, and in the output we 
noticed a suspicious error-like behavior in the beginning of the run.

We requested to use the following basis set and potential file:
     BASIS_SET_FILE_NAME BASIS_MOLOPT
     POTENTIAL_FILE_NAME GTH_POTENTIALS

While this line was present in the output.
     GLOBAL| Basis set file name            GTH_POTENTIA


In the earlier versions (2.5.1) we have used the same input file and the 
output was always consistent with the input.

What is the problem?

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