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Update to average Grüneisen documenation (materialsproject#3773)
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* Update gruneisen.py

* Update pymatgen/phonon/gruneisen.py

Signed-off-by: J. George <[email protected]>

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Signed-off-by: J. George <[email protected]>
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JaGeo authored Apr 19, 2024
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Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions pymatgen/phonon/gruneisen.py
Original file line number Diff line number Diff line change
Expand Up @@ -75,10 +75,10 @@ def average_gruneisen(
limit_frequencies: Literal["debye", "acoustic"] | None = None,
) -> float:
"""Calculates the average of the Gruneisen based on the values on the regular grid.
If squared is True the average will use the squared value of the Gruneisen and a squared root
If squared is True, the average will use the squared value of the Gruneisen and a squared root
is performed on the final result.
Values associated to negative frequencies will be ignored.
See Scripta Materialia 129, 88 for definitions.
Values associated with negative frequencies will be ignored.
See Nath et al. _Scripta Materialia_ **2017**, _129_, 88 for the definitions.
Adapted from classes in abipy that have been written by Guido Petretto (UCLouvain).
Args:
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