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use the symmetric version of the diagonalization routine
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OMalenfantThuot committed May 19, 2021
1 parent 605cae7 commit e98469e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion mlcalcdriver/workflows/phonon.py
Expand Up @@ -313,6 +313,6 @@ def _solve_dyn_mat(self):
Obtains the eigenvalues and eigenvectors from
the dynamical matrix
"""
eigs, vecs = np.linalg.eig(self.dyn_mat)
eigs, vecs = np.linalg.eigh(self.dyn_mat)
eigs = np.sign(eigs) * np.sqrt(np.where(eigs < 0, -eigs, eigs))
return eigs, vecs

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