WIEN2k
From MaRDI portal
Software:17122
No author found.
Related Items (36)
The highest superconvergence of the tri-linear element for Schrödinger operator with singularity ⋮ woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement ⋮ Block iterative eigensolvers for sequences of correlated eigenvalue problems ⋮ Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory ⋮ Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations ⋮ Correlations in sequences of generalized eigenproblems arising in density functional theory ⋮ Multi-domain muffin tin finite element density functional calculations for small molecules ⋮ critic: a new program for the topological analysis of solid-state electron densities ⋮ Fast solution of Schrödinger's equation using linear combinations of plane waves ⋮ ATAT{\@}WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method ⋮ An approximate eigensolver for self-consistent field calculations ⋮ High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods ⋮ \textsc{Gibbs2}: A new version of the quasi-harmonic model code. I. Robust treatment of the static data ⋮ Ab initio investigation of phase separation in Ca\({}_{1 - x}\)Zn\({}_{x}\)O alloys ⋮ ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems ⋮ Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique ⋮ Finite element calculations for systems with multiple Coulomb centers ⋮ Multi-objective list scheduling of workflow applications in distributed computing infrastructures ⋮ Structure and electronic properties of native and defected gallium nitride nanotubes ⋮ Theoretical investigations on the elastic and thermodynamic properties of \(\text{Ti}_{2}\text{AlC}_{0.5}\text{N}_{0.5}\) solid solution ⋮ A discontinuous Galerkin scheme for full-potential electronic structure calculations ⋮ The effect of pressure on electronic and magnetic properties of MnAs crystal ⋮ Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators ⋮ 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 ⋮ Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism ⋮ \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions ⋮ Electronic structure of Li\(_3\)GaN\(_2\) ⋮ First-principles calculations of the YBa\(_{2}\)Cu\(_{3}\)O\(_{7}\)/PrBa\(_{2}\)Cu\(_{3}\)O\(_{7}\) interface ⋮ Boltztrap. A code for calculating band-structure dependent quantities ⋮ Ab initio molecular simulations with numeric atom-centered orbitals ⋮ First-principles study on electronic structure and elastic properties of \(\text{Ti}_{2}\text{SC}\) ⋮ Data mining density of states spectra for crystal structure classification: An inverse problem approach ⋮ ELECTRONIC AND OPTICAL PROPERTIES OF BaO, BaS, BaSe, BaTe AND BaPo COMPOUNDS UNDER HYDROSTATIC PRESSURE ⋮ Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations ⋮ An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
This page was built for software: WIEN2k
