Dear Community, I found some answer to my last question from Stefano Baroni’s lecture on DFPT and also practicing thermo_pw/examples/example04. >From the lecture I came to know only one atom is perturbed. From the >practicing the example I came to know that symmetry comes into play to >determine q-points. But there is another parameter, “q in the star”. Can you >please let me know about this parameter?
Thank you, Regards, Krishnendu ---------------------------------------------------------------------------------------------------------- [QE-users] dynamical matrix and Bravais Lattice Dear Community, For calculating the dynamical matrix when displacements are applied to the I and Jth atoms, do those displacements depend on the Bravais Lattice of the input atomic structure? Regards, Krishnendu -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230217/95694621/attachment.html>
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