[QE-users] Can phonon calculations be done on a GPU?

Ivan Carnimeo icarnimeo at sissa.it
Mon Sep 8 08:37:13 CEST 2025


Yes,
both PHonon and TD-DFPT (turbo_davidson, turbo_eels, turbo_lanczos) are available on NVIDIA GPU (details here: J. Chem. Theory Comput. 2023, 19, 20, 6992–7006)

IC
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