[QE-users] Regarding vc-relax of Ti3C2O2

Paolo Giannozzi paolo.giannozzi at uniud.it
Sun Feb 1 18:28:11 CET 2026


On 2/1/2026 6:06 PM, giuseppe.mattioli at mlib.ism.cnr.it 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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