swMATH18310WikidataQ5008880 ScholiaQ5008880MaRDI QIDQ30153FDOQ30153
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Official website: http://www.castep.org/
Cited In (50)
- libMBD
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction
- A sublinear-scaling approach to density-functional-theory analysis of crystal defects
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- User-centered design practice for grid-enabled simulation in e-science
- Constant pressure Langevin dynamics: theory and application
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory
- Structure stability and configuration evolution of AL\(_{n}\) (\(n =3, 4, 6, 13, 19\)) clusters
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- \texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- PROFESS
- MayaVi
- ABINIT
- SIESTA
- GAUSSIAN
- Quantum Espresso
- OCTOPUS
- CIF2Cell
- Lightspeed
- XCrySDen
- TraceMIN
- Avogadro
- OptaDOS
- XtalOpt
- PARSEC
- ClusterES
- RESCU
- ADF
- pymatgen
- CheFSI
- SPARC
- RandSpg
- CRYSTAL
- FHI-aims
- Cucheb
- libssh
- PWscf
- DFT-FE
- python-ternary
- PyProcar
- FermiSurfer
- IFermi
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- A spectral scheme for Kohn-Sham density functional theory of clusters
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- DFTK
- Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
- A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation
- The eigenvalues slicing library (EVSL): algorithms, implementation, and software
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