Journal of Applied Crystallography
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Figure 5
Where time is spent in the
Euphonic
interpolation function
calculate_qpoint_phonon_modes
for 250 000
Q
-points for different materials and numbers of processors. The white areas indicate time spent in the serial part of the code.
JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 55
|
Part 6
|
December 2022
|
Pages 1689-1703
https://doi.org/10.1107/S1600576722009256
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The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.