WIEN2k
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swMATH4975MaRDI QIDQ17122FDOQ17122
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Official website: http://www.wien2k.at/
Cited In (85)
- \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
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
- First-principles calculations of the YBa\(_{2}\)Cu\(_{3}\)O\(_{7}\)/PrBa\(_{2}\)Cu\(_{3}\)O\(_{7}\) interface
- Electronic structure of Li\(_3\)GaN\(_2\)
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
- Finite element calculations for systems with multiple Coulomb centers
- Theoretical investigations on the elastic and thermodynamic properties of \(\text{Ti}_{2}\text{AlC}_{0.5}\text{N}_{0.5}\) solid solution
- \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
- The highest superconvergence of the tri-linear element for Schrödinger operator with singularity
- First-principles study on electronic structure and elastic properties of \(\text{Ti}_{2}\text{SC}\)
- ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method
- Ab initio molecular simulations with numeric atom-centered orbitals
- Boltztrap
- HYBRJ
- ABINIT
- SIESTA
- HSL_ea19
- Quantum Espresso
- ATAT
- Libxc
- Wien2wannier
- The effect of pressure on electronic and magnetic properties of MnAs crystal
- Gibbs2
- Runwien
- BigDFT
- Ganga
- FHI-gap
- WIEN97
- wien-speedup
- ISOTROPY
- symPACK
- iQIST
- BerkeleyGW
- woptic
- woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
- Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
- Fast solution of Schrödinger's equation using linear combinations of plane waves
- GPAW
- TRIQS
- Spglib
- VASP
- PythTB
- Bilbao Crystallography Server
- WannierTools
- Z2pack
- FLEUR
- Elk
- exciting
- AtomPAW
- FHI-aims
- Pwpaw
- ELSI
- TBTK
- 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
- AsturFit
- SpaceGroupIrep
- Block iterative eigensolvers for sequences of correlated eigenvalue problems
- Correlations in sequences of generalized eigenproblems arising in density functional theory
- w2dynamics
- ecalj
- ComDMFT
- WannSymm
- Boltztrap. A code for calculating band-structure dependent quantities
- High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods
- First-principles calculation of \(Z_2\) topological invariants within the FP-LAPW
- FHI-gap: a \(GW\) code based on the all-electron augmented plane wave method
- Ab initio investigation of phase separation in Ca\({}_{1 - x}\)Zn\({}_{x}\)O alloys
- Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory
- Structure and electronic properties of native and defected gallium nitride nanotubes
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems
- irvsp
- BerryPI
- TB2J
- vasp2trace
- Multi-objective list scheduling of workflow applications in distributed computing infrastructures
- Data mining density of states spectra for crystal structure classification: An inverse problem approach
- AMULET
- Questaal
- Globally constructed adaptive local basis set for spectral projectors of second order differential operators
- Multi-domain muffin tin finite element density functional calculations for small molecules
- Electronic and optical properties of BaO, BaS, BaSe, BaTe and BaPo compounds under hydrostatic pressure
- Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
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