On 2/1/2026 6:06 PM, [email protected] wrote:

     diagonalization='ppcg',

The 'ppcg' option is disabled in recent versions: it had no advantages, either in terms of speed or memory usage, with respect to other diagonalization algoithms

Paolo
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216

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