[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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