Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
ISDF
-
Linear Response
-
Math
-
Maxwell
-
Mesh
-
Multi-Trajectory
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
--
Absorbing Boundaries
--
PhotoElectronSpectrum
--
Propagation
--
Response
---
Dipole
---- TDEasyAxis
---- TDPolarization
---- TDPolarizationDirection
---- TDPolarizationEquivAxes
---- TDPolarizationWprime
--- TDDeltaKickTime
--- TDDeltaStrength
--- TDDeltaStrengthMode
--- TDDeltaUserDefined
--- TDKickFunction
--- TDMomentumTransfer
--- TDMultipleMomentumTransfer
--- TDReducedMomentumTransfer
--
TD Output
-- EPWBandLowest
-- MillerIndicesBasis
-- TDDMOrthogonal
-- TDDMPropagation
-- TDDMPropagation_2Times
-- TDDMPropagation_from_epw
-- TDDMPropagation_uniform_decay
-- TDDMPropagationBasis
-- TDDMUnitaryTransformFix
-- TDExternalFields
-- TDFreezeDFTUOccupations
-- TDFreezeHXC
-- TDFreezeOrbitals
-- TDFreezeU
-- TDFunctions
-- TDGlobalForce
-- TDScissor
-- TDWannierMethod
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
TDPolarizationWprime
TDPolarizationWprime
Section Time-Dependent::Response::Dipole
Type block
This block is needed only when
TDPolarizationEquivAxes is set to 3. In such a case,
the three directions (pol1 , pol2 , and pol3 ) defined in
the TDPolarization block should be related by symmetry
operations. If A is the symmetry operation that takes you
from pol1 to pol2 , then TDPolarizationWprime
should be set to the direction defined by A $^{-1}$pol3 .
For more information see MJT Oliveira
et al. , J. Nanoscience and Nanotechnology 8 ,
3392 (2008).
Source information
hamiltonian/kick.F90 : 406
if ( parse_block ( namespace , 'TDPolarizationWprime' , blk ) == 0 ) then
Featured in chapters of the manual: