|
gptkbp:instanceOf
|
gptkb:software
|
|
gptkbp:application
|
electronic structure calculations
quantum chemistry calculations
periodic systems modeling
|
|
gptkbp:citation
|
gptkb:R._Dovesi_et_al.,_CRYSTAL23_User's_Manual,_University_of_Torino,_2023.
|
|
gptkbp:developedBy
|
gptkb:CRYSTAL_Project_Team
|
|
gptkbp:firstReleased
|
1988
|
|
gptkbp:fullName
|
gptkb:CRYSTAL_(Computational_Research_and_Analysis_System_for_Technology_and_Learning)
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CRYSTAL
|
|
gptkbp:latestReleaseVersion
|
gptkb:CRYSTAL23
2023
|
|
gptkbp:license
|
proprietary
|
|
gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
|
|
gptkbp:programmingLanguage
|
gptkb:Fortran
|
|
gptkbp:supports
|
gptkb:Hartree-Fock_method
gptkb:post-Hartree-Fock_methods
gptkb:Density_Functional_Theory_(DFT)
hybrid functionals
band structure calculations
geometry optimization
vibrational analysis
magnetic properties calculations
|
|
gptkbp:usedFor
|
computational chemistry
materials science
solid state physics
|
|
gptkbp:website
|
https://www.crystal.unito.it/
|
|
gptkbp:bfsParent
|
gptkb:DeFi_Kingdoms
|
|
gptkbp:bfsLayer
|
6
|