[CP2K-user] [CP2K:18749] Keeping unique (labelled) name for atoms in the output file

[DMITRII Drugov]

Dear CP2K community,

Could anybody suggest how to keep the labelled name for the atoms in the
output file?
For example, I have several carbon and oxygen atoms which I want to keep
unique in the output file (see below). I will run long-term ab initio MD.
   &KIND B1
      BASIS_SET DZVP-MOLOPT-SR-GTH
      POTENTIAL GTH-PBE-q3
    &END KIND
    &KIND O20
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND O01
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND C20
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND C01
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND

However, in the output file, I always get only an atom type without its
label.

I would greatly appreciate your advice on this.

Kind regards,
Dmitrii

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