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Lattice symmetry: Brillouin zone integration #7

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phanish-suryanarayana opened this issue May 31, 2020 · 0 comments
Open

Lattice symmetry: Brillouin zone integration #7

phanish-suryanarayana opened this issue May 31, 2020 · 0 comments

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@phanish-suryanarayana
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phanish-suryanarayana commented May 31, 2020 •
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Other than time-reversal symmetry, symmetry-adaption in the Brillouin zone has currently not been implemented. This is because SPARC is targeted for large systems, where lattice symmetry is less likely to be present. Consequently, for systems with spatial symmetry, the number of k-points that SPARC will employ for Brillouin zone integration is larger than the minimal set required.
@phanish-suryanarayana phanish-suryanarayana changed the title Lattice symmetry Lattice symmetry: Brillouin zone integration Jun 2, 2020
phanish-suryanarayana pushed a commit that referenced this issue Jun 10, 2020
@xuqimen
Merge pull request #7 from xuqimen/patch
bb66c56 
add makefile for IBM machines; modify scalapack.h; abs type issues
phanish-suryanarayana pushed a commit that referenced this issue Apr 12, 2024
@alchem0x2A
Merge pull request #7 from alchem0x2A/build-fix
a413f88 
Update conda build toolchain
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