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Figure 7
Variation of the frequency of the of the B
2
symmetry-breaking lattice mode as a function of pressure. Frequencies were calculated by periodic DFT; imaginary frequencies are shown as negative numbers.
IUCrJ
Volume 7
|
Part 1
|
January 2020
|
Pages 58-70
ISSN: 2052-2525
https://doi.org/10.1107/S2052252519015616
MATERIALS
|
COMPUTATION
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