Slot: born_effective_charges
Born effective charge tensors Z*_ij for each atom, describing how
the polarization changes with atomic displacements.
URI: coremeta4cat:born_effective_charges Alias: born_effective_charges
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| DielectricTensors | Dielectric tensor computed from density functional perturbation theory (DFPT). Characterises the optical and static dielectric response of a material. |
no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:born_effective_charges |
| native | coremeta4cat:born_effective_charges |
LinkML Source
name: born_effective_charges
description: 'Born effective charge tensors Z*_ij for each atom, describing how
the polarization changes with atomic displacements.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:born_effective_charges
alias: born_effective_charges
domain_of:
- DielectricTensors
range: string
multivalued: true