How to print the kinetic energy AO matrix?

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Junbo Lu

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Nov 19, 2025, 7:59:48 AM (yesterday) Nov 19
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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

Krack, Matthias

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Nov 19, 2025, 8:15:14 AM (yesterday) Nov 19
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Hi Junbo

KINETIC_ENERGY is an input keyword, not an input section.

Best

Matthias

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