calccouplingdeltat Subroutine
-
- physical-observables, KKRimp
- 67 statements
- Source File
public subroutine calccouplingdeltat(wavefunction, deltaTmat, cellnew, gauntcoeff, theta, phi, lmmax, lmsize, lmax, lmpot, nrmax)
Uses
-
- type_gauntcoeff
- mod_rotatespinframe
- mod_intcheb_cell
- type_wavefunction
- type_cellnew
- nrtype
- mod_mathtools
- mod_vllmat
The matrix elements of Bxc with Pauli matrices between two regular scattering wavefunctions are computed This is then transformed from the local frame to the global frame For details see Ebert and Mankovsky, PRB 79, 045209 (2009)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(wavefunction_type) | :: | wavefunction | ||||
| double complex | :: | deltaTmat(lmsize,lmsize,3) | ||||
| type(CELL_TYPENEW) | :: | cellnew | ||||
| type(gauntcoeff_type) | :: | gauntcoeff | ||||
| double precision | :: | theta | ||||
| double precision | :: | phi | ||||
| integer | :: | lmmax | ||||
| integer | :: | lmsize | ||||
| integer | :: | lmax | ||||
| integer | :: | lmpot | ||||
| integer | :: | nrmax |