Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
ISDF
-
Linear Response
-
Math
-
Maxwell
-
Mesh
-
Multi-Trajectory
-
Output
-
SCF
-
States
-
System
--
Coordinates
--
Species
--
Velocities
-- Dimensions
-- InitialDisplacementAmplitudePos
-- InitialDisplacementAmplitudeVel
-- InitialDisplacementMode
-- Interactions
-- NumberOfReplicas
-- PeriodicDimensions
-- PhononModesFile
-- PhononModesZeroThreshold
-- StaticExternalPotentials
-- Systems
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
InitialDisplacementMode
InitialDisplacementMode
Section System
Type integer
Default 0
When this variable is set and non-zero, the phonon modes file will be read, and ionic
positions and velocities will be displaced according to a single phonon mode.
The amplitudes can be defined with the variables:
InitialDisplacementsAmplitudePos
InitialDisplacementsAmplitudeVel
Source information
ions/ions.F90 : 242
call parse_variable ( namespace , 'InitialDisplacementMode' , 0 , displacement_mode )