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1

Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *

Gerhorst, Christian-Roman
2024

Electronic structure, 6 (2024) 1, S. 017001 -

OpenAccess

2

Journal Article

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Bosoni, Emanuele
2024

Nature reviews / Physics, 6 (2024) S. 45-58

OpenAccess Restricted

3

Journal Article

Fast All-Electron Hybrid Functionals and Their Application to Rare-Earth Iron Garnets

Redies, Matthias
2022

Frontiers in Materials, 9 (2022) S. 851458

OpenAccess

4

Journal Article

Common workflows for computing material properties using different quantum engines

Huber, Sebastiaan P.
2021

npj computational materials, 7 (2021) 1, S. 136

OpenAccess

5

Journal Article

Kerker mixing scheme for self-consistent muffin-tin based all-electron electronic structure calculations

Winkelmann, Miriam
2020

Physical Review B Physical review / B, 102 102 (2020 2020) 19 19, S. 195138 195138

OpenAccess

6

Journal Article

Mixed topological semimetals driven by orbital complexity in two-dimensional ferromagnets

Niu, Chengwang
2019

Nature Communications, 10 (2019) 1, S. 3179

OpenAccess OpenAccess

7

Contribution to a book
Contribution to a conference proceedings

Hybrid Parallelization and Performance Optimization of the FLEUR Code: New Possibilities for All-Electron Density Functional Theory

Alekseeva, Uliana
2018

Published on 2018-08-31. Available in OpenAccess from 2019-08-31. Published on 2018-08-31. Available in OpenAccess from 2019-08-31.

8

Journal Article

Topological invariants of band insulators derived from the local-orbital based embedding potential

Ishida, H.
2017

Physical Review B Physical review / B, 96 96 (2017 2017) 12 12, S. 125413 125413

OpenAccess OpenAccess

9

Journal Article

Robust dual topological character with spin-valley polarization in a monolayer of the Dirac semimetal Na 3 Bi

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 7 7, S. 075404 075404

OpenAccess OpenAccess

10

Journal Article

Two-dimensional topological nodal line semimetal in layered X 2 Y ( X = Ca , Sr, and Ba; Y = As , Sb, and Bi)

Niu, Chengwang
2017

Physical Review B Physical review / B, 95 95 (2017 2017) 23 23, S. 235138 235138

OpenAccess OpenAccess

11

Journal Article

Relationship between embedding-potential eigenvalues and topological invariants of time-reversal invariant band insulators

Ishida, H.
2016

Physical Review B Physical review / B, 93 93 (2016 2016) 11 11, S. 115415 115415

OpenAccess OpenAccess

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