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Questions related from Takayuki Makino
Hello, I am a newbie in theoretical solid-state physics. I am now trying to calculate electronic energy-band structures using Quantum ESPRESSO solver. The relevant cell (lattice) has following...
07 January 2021 6,712 2 View
I wonder how to generate tetrahedra meshes, necessary for Brillouin zone integration. I prefer very simple one based on Lehmann and Taut (1972). Is there any algorithm to generate meshes by giving...
27 September 2018 4,336 3 View
I wonder how to calculate static dielectric constant, epsilon(0) from first-princiles. I think that this guy is related to the phonon properties such as phonon DOS. Some DFPT solvers support its...
03 September 2018 577 1 View
Concerning the integration in case of first-principles electronic structure calculation, tetrahedron method is famous for the k-space integration. Is there any method for the efficient integration...
10 August 2018 6,748 0 View
