CASTEP
From MaRDI portal
Cited in
(53)- DFTK
- CONQUEST
- MOPAC
- ONETEP
- PROFESS
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
- MayaVi
- SIESTA
- ABINIT
- GAUSSIAN
- Quantum Espresso
- OCTOPUS
- A sublinear-scaling approach to density-functional-theory analysis of crystal defects
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- CIF2Cell
- A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation
- XCrySDen
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- Lightspeed
- TraceMIN
- Avogadro
- OptaDOS
- XtalOpt
- RESCU
- ClusterES
- ADF
- \texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes
- pymatgen
- SPARC
- PARSEC
- CheFSI
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- RandSpg
- CRYSTAL
- FHI-aims
- Cucheb
- libssh
- PWscf
- DFT-FE
- python-ternary
- The eigenvalues slicing library (EVSL): algorithms, implementation, and software
- PyProcar
- IFermi
- FermiSurfer
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- libMBD
- Constant pressure Langevin dynamics: theory and application
- A spectral scheme for Kohn-Sham density functional theory of clusters
- Structure stability and configuration evolution of AL\(_{n}\) (\(n =3, 4, 6, 13, 19\)) clusters
- User-centered design practice for grid-enabled simulation in e-science
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
This page was built for software: CASTEP
