ABINIT
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Cited in
(only showing first 100 items - show all)- Ab initio calculations of thermal radiative properties: the semiconductor GaAs
- AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals
- Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics
- scientific article; zbMATH DE number 5208477 (Why is no real title available?)
- AMULET
- Questaal
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
- Numerical methods for Kohn–Sham density functional theory
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- Discretization error cancellation in electronic structure calculation: toward a quantitative study
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- 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
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
- Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions
- Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature
- Gaussian basis implementation of the charge patching method
- Variational projector augmented-wave method: theoretical analysis and preliminary numerical results
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- Variational projector augmented-wave method
- Linear response approach to collective electronic excitations of solids and surfaces
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- 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
- Plato
- Wannier90
- CONQUEST
- ONETEP
- BLOPEX
- 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
- FINDSYM
- FLEUR
- Elk
- exciting
- CheFSI
- SPARC
- CRYSTAL
- Inkscape
- ELATE
- ElaStic
- wxWidgets
- ab-initio
- SPRKKR
- APE
- AtomPAW
- Quickstep
- Pwpaw
- Yambo
- Cucheb
- LqsgwFlapw
- PAW
- Dalton
- DFT-FE
- HONPAS
- AFLOW
- PLATON
This page was built for software: ABINIT
