Electronic structure calculations of solids using the WIEN2k package for material sciences
From MaRDI portal
(Redirected from Publication:696404)
Recommendations
- A projector augmented wave (PAW) code for electronic structure calculations. II: Pwpaw for periodic solids in a plane wave basis
- Analytic spin-orbit coupling matrix element formulae in FLAPW calculations
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
- Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory
Cited in
(29)- \textsc{Gibbs2}: A new version of the quasi-harmonic model code. I. Robust treatment of the static data
- An approximate eigensolver for self-consistent field calculations
- A discontinuous Galerkin scheme for full-potential electronic structure calculations
- Multi-objective list scheduling of workflow applications in distributed computing infrastructures
- Iterative diagonalization in augmented plane wave based methods in electronic structure calculations
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
- \textsf{PWDFT.jl}: a Julia package for electronic structure calculation using density functional theory and plane wave basis
- Electronic Structure Calculations for Solids and Molecules
- \(AMP^2\): a fully automated program for \textit{ab initio} calculations of crystalline materials
- \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
- Ab initio calculations of structural and electronic properties of crystal solids in density functional and pseudopotential approach in momentum space: details and examples
- WannSymm: a symmetry analysis code for Wannier orbitals
- ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method
- WIEN2k
- Analytic spin-orbit coupling matrix element formulae in FLAPW calculations
- Ab initio modeling of electron subsystem of multiatomic crystals: software package
- critic: a new program for the topological analysis of solid-state electron densities
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- Globally constructed adaptive local basis set for spectral projectors of second order differential operators
- Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory
- Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory
- An implementation of the atoms in molecules theory to the FPLAPW method
- Perturbation approach to \textit{ab initio} effective mass calculations
- Electronic and optical properties of BaO, BaS, BaSe, BaTe and BaPo compounds under hydrostatic pressure
- scientific article; zbMATH DE number 434858 (Why is no real title available?)
- \texttt{WannierTools}: an open-source software package for novel topological materials
- Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
- TC++: first-principles calculation code for solids using the transcorrelated method
- WanTiBEXOS: a Wannier based tight binding code for electronic band structure, excitonic and optoelectronic properties of solids
This page was built for publication: Electronic structure calculations of solids using the WIEN2k package for material sciences
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q696404)
