Cited in
(88)- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
- AMULET
- Questaal
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
- A shift selection strategy for parallel shift-invert spectrum slicing in symmetric self-consistent eigenvalue computation
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
- Classification and prediction of bulk densities of states and chemical attributes with machine learning techniques
- Fast iterative interior eigensolver for millions of atoms
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Non-periodic finite-element formulation of orbital-free density functional theory
- grasp2k
- Plato
- GULP
- CONQUEST
- MOPAC
- ONETEP
- WIEN2k
- ABINIT
- Quantum Espresso
- GPAW
- MOPAC
- OCTOPUS
- DFTB+
- OpenMx
- Dftatom
- MIKA
- BigDFT
- Avogadro
- iQIST
- XtalOpt
- BerkeleyGW
- fhi98PP
- GPAW
- CASTEP
- Qbox
- ADF
- Open Babel
- TRIQS
- VASP
- FLEUR
- Elk
- CheFSI
- SPARC
- RandSpg
- ElaStic
- APE
- AtomPAW
- FHI-aims
- HelFEM
- EVSL
- Yambo
- libssh
- PWscf
- Dalton
- DFT-FE
- PEXSI
- transiesta
- PyBEST
- PyProcar
- IFermi
- w2dynamics
- USPEX
- NWChemEx
- Trends in the formation of aggregates and crystals from M\@Si\(_{16}\) clusters: a study from first principle calculations
- Two-center overlap integrals, three dimensional adaptive integration, and prolate ellipsoidal coordinates
- \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- DGDFT
- JARVIS
- TB2J
- SISLICE
- VASPKIT
- Globally constructed adaptive local basis set for spectral projectors of second order differential operators
- Numerical study of the plasma tearing instability on the resistive time scale
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
- Improved recursive Green's function formalism for quasi one-dimensional systems with realistic defects
- A spectral scheme for Kohn-Sham density functional theory of clusters
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- USPEX-evolutionary crystal structure prediction
- ComDMFT
- PySCF-NAO
- WanTiBEXOS
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions
- Localized density matrix minimization and linear-scaling algorithms
- Computational materials science and engineering
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation
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