[CP2K-user] [CP2K:21979] How to print the kinetic energy AO matrix?

[Krack, Matthias]

Hi Junbo

KINETIC_ENERGY is an input keyword, not an input section.

Best

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Junbo Lu <lujunbo15 at gmail.com>
Date: Wednesday, 19 November 2025 at 14:00
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:21979] How to print the kinetic energy AO matrix?

Hello,
  I am trying to print kinetic energy in atomic orbital basis. Here is my input in DFT section:
    &PRINT
      &AO_MATRICES
        FILENAME kin_ao_matrix
        &KINETIC_ENERGY .TRUE.
        &END KINETIC_ENERGY
      &AO_MATRICES
    &END PRINT
  I get an error: unknown subsection KINETIC_ENERGY of section AO_MATRICES.
  How can I achieve this goal?
  With my best regards,
  Junbo
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