Wannier90 as a community code: new features and applications
… In section 4 we describe new functionality enhancements, … In section 5 we describe new
functionalities associated with … In section 7 we describe new post-processing tools and codes, …
functionalities associated with … In section 7 we describe new post-processing tools and codes, …
Wannier90 as a community code: new features and applications/Working Paper
… developments that have been recently released in Wannier90 v3.0. In this article we
describe these new functionalities, that include the implementation of new features for …
describe these new functionalities, that include the implementation of new features for …
wannier90: A tool for obtaining maximally-localised Wannier functions
… overall structure of the code. We demonstrate how to install and run wannier90 in Sections
5 … , in Section 7 we provide a number of example calculations and applications of the code. …
5 … , in Section 7 we provide a number of example calculations and applications of the code. …
The Wannier-Functions Software Ecosystem for Materials Simulations
… research community, and that are now well integrated into what we term a Wannier-functions …
as monolithic applications: self-contained and independent codes made of tightly coupled …
as monolithic applications: self-contained and independent codes made of tightly coupled …
High performance Wannier interpolation of Berry curvature and related quantities with WannierBerri code
SS Tsirkin - npj Computational Materials, 2021 - nature.com
… a platform for implementing more functionalities involving Wannier interpolation. Thus it has
the potential to become a community code. Interestingly, the code uses the same routines to …
the potential to become a community code. Interestingly, the code uses the same routines to …
[HTML][HTML] Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory
KF Garrity, K Choudhary - Scientific data, 2021 - nature.com
… -quality Wannier functions requires several choices by code users, … use by the materials
community should enable accelerated … Because most applications of WFs are computationally …
community should enable accelerated … Because most applications of WFs are computationally …
[HTML][HTML] EPIq: an open-source software for the calculation of electron-phonon interaction related properties
… code (Quantum ESPRESSO) and wannier90, epiq exploits the localization of the deformation
potential in the Wannier function … 4 we demonstrate some exemplar applications. In Sec. 5 …
potential in the Wannier function … 4 we demonstrate some exemplar applications. In Sec. 5 …
Quantum ESPRESSO toward the exascale
… maximally localized Wannier functions [Wannier90 19 and … similar community codes (several
hundred thousands code lines … calling code will only occur via standard public application …
hundred thousands code lines … calling code will only occur via standard public application …
[HTML][HTML] The CECAM electronic structure library and the modular software development paradigm
… maximally localized Wannier functions 14 from the outputs of electronic structure codes but
… Developing electronic-structure software based on common standards, libraries, application …
… Developing electronic-structure software based on common standards, libraries, application …
DCore: Integrated DMFT software for correlated electrons
… density functional theory codes through the Wannier90 package. … structure and usage of
DCore and shows some applications. … on how to construct Wannier functions using Quantum …
DCore and shows some applications. … on how to construct Wannier functions using Quantum …