swMATH6111MaRDI QIDQ18245FDOQ18245
Author name not available (Why is that?)
Official website: https://abinit.github.io
Source code repository: https://github.com/abinit
Cited In (only showing first 100 items - show all)
- Ab initio calculations of thermal radiative properties: the semiconductor GaAs
- irvsp
- JARVIS
- MechElastic
- KGEC
- BurnMan
- TB2J
- PWDFT.jl
- PYATB
- wan2respack
- Tight-Binding Studio
- Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics
- Title not available (Why is that?)
- Numerical methods for Kohn–Sham density functional theory
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
- Discretization error cancellation in electronic structure calculation: toward a quantitative study
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations
- Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
- Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature
- Gaussian basis implementation of the charge patching method
- Q-Chem
- Variational projector augmented-wave method: theoretical analysis and preliminary numerical results
- DGDFT
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- Variational projector augmented-wave method
- AMULET
- Questaal
- Linear response approach to collective electronic excitations of solids and surfaces
- Implementation of the projector augmented-wave method: the use of atomic datasets in the standard PAW-XML format
- GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model
- Numerical stability and efficiency of response property calculations in density functional theory
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- ComDMFT
- PySCF-NAO
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
- B-splines and NURBS based finite element methods for Kohn-Sham equations
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- Daubechies wavelets for high performance electronic structure calculations: the BigDFT project
- DCore
- DFTK
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
- Projector augmented-wave method: an analysis in a one-dimensional setting
- FLAME
- Exact solutions of nonlinear dynamical equations for large-amplitude atomic vibrations in arbitrary monoatomic chains with fixed ends
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems
- CPMC-lab: a Matlab package for constrained path Monte Carlo calculations
- AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Direct minimization for calculating invariant subspaces in density functional computations of the electronic structure
- Simulation of fracture in heterogeneous elastic materials with cohesive zone models
- PROFESS
- HANSO
- WIEN2k
- SIESTA
- CPMD
- GAUSSIAN
- MOLPRO
- NWChem
- Quantum Espresso
- Libxc
- OCTOPUS
- DFTB+
- Dftatom
- PHON
- BigDFT
- FFTPACK
- Lightspeed
- XCrySDen
- EasyMesh
- TraceMIN
- S/PHI/nX
- CP2K
- ISOTROPY
- iQIST
- BerkeleyGW
- fhi98PP
- GPAW
- PARSEC
- CASTEP
- ClusterES
- ELPA
- RESCU
- Qbox
- Kwant
- CPMC-Lab
- TRIQS
- Spglib
- VASP
- PythTB
- Bilbao Crystallography Server
- ruamel.yaml
- WannierTools
- Z2pack
This page was built for software: ABINIT
