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phonopy / phono3py

A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
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Memorize phase factors in inner loop for better performance #215

Closed atztogo closed 4 months ago

atztogo commented 4 months ago

16.6% reduction in Elapsed time using AlN-LDA example and the following setting on m1 mac,

phono3py-load phono3py_disp_dimfc2.yaml --mesh 50 --ts 300 --br