Dear all,
I hope this mail finds you well. I am writing to seek guidance
on how to calculate the dynamical matrix along a high symmetry path without
utilizing any symmetry constraints in Quantum Espresso.
After running ph.x using the symmetry of the crystal I am getting only 7
q points in the irreducible Brillouin zone, where the dynamical matrix is
calculated. I am working on a project where I need dynamical matrices on
equally spaced points along the high symmetry path.Could you please guide
me how to calculate dynamical matrices along the high symmetry path
without using any crystal symmetry ?
Thank you in advance for the assistance. I look forward to hearing from you
soon.
Regards,
Shneha
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
