[QE-users] q in the star : dynamical matrix and Bravais Lattice

[KRISHNENDU MUKHERJEE]

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 

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[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 


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