Statements (20)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:software
|
| gptkbp:developer |
gptkb:Quantum_ESPRESSO_community
|
| https://www.w3.org/2000/01/rdf-schema#label |
PWscf
|
| gptkbp:license |
gptkb:GNU_General_Public_License
|
| gptkbp:partOf |
gptkb:Quantum_ESPRESSO
|
| gptkbp:supports |
norm-conserving pseudopotentials
phonon calculations pseudopotentials spin-polarized calculations ultrasoft pseudopotentials molecular systems periodic systems variable cell relaxation |
| gptkbp:usedFor |
gptkb:density_functional_theory
electronic-structure calculations plane-wave self-consistent field calculations |
| gptkbp:website |
https://www.quantum-espresso.org/
|
| gptkbp:writtenBy |
gptkb:Fortran
|
| gptkbp:bfsParent |
gptkb:Quantum_ESPRESSO
|
| gptkbp:bfsLayer |
6
|