Slot: imaginary_modes

Whether imaginary (soft) phonon modes are present in the dispersion.

Imaginary modes indicate dynamical instability of the structure.

URI: coremeta4cat:imaginary_modes Alias: imaginary_modes

Applicable Classes

Name	Description	Modifies Slot
PhononDispersion	Phonon dispersion relations computed from interatomic force constants, providing access to vibrational frequencies, thermodynamic quantities, and dynamical stability (imaginary modes).	no

Properties

• Range: Boolean

• Multivalued: True

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	coremeta4cat:imaginary_modes
native	coremeta4cat:imaginary_modes

LinkML Source

name: imaginary_modes
description: 'Whether imaginary (soft) phonon modes are present in the dispersion.

  Imaginary modes indicate dynamical instability of the structure.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:imaginary_modes
alias: imaginary_modes
domain_of:
- PhononDispersion
range: boolean
multivalued: true