Documentation for module qs_linres_atom_current

given the response wavefunctions obtained by the application of the (rxp), p, and ((dk-dl)xp) operators, here the current density vector (jx, jy, jz) is computed for the 3 directions of the magnetic field (Bx, By, Bz)

source: qs_linres_atom_current.F
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public Subroutines/Functions:

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Calculate the expansion coefficients for the atomic terms of the current densitiy in GAPW
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SUBROUTINEcalculate_jrho_atom(current_env, qs_env, ib, idir)

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Arguments:
:: current_env ...
POINTER
:: qs_env ...
INTEGER,
INTENT(in)
:: ib ...
INTEGER,
INTENT(in)
:: idir ...

SUBROUTINEcalculate_jrho_atom_coeff(qs_env, current_env, mat_d0, mat_jp, mat_jp_rii, mat_jp_riii, ib, idir)

Calculate the expansion coefficients for the atomic terms of the current densitiy in GAPW

Arguments:
POINTER
:: qs_env ...
:: current_env ...
POINTER
:: mat_d0(:) ...
POINTER
:: mat_jp(:) ...
POINTER
:: mat_jp_rii(:) ...
POINTER
:: mat_jp_riii(:) ...
INTEGER,
INTENT(in)
:: ib ...
INTEGER,
INTENT(in)
:: idir ...

SUBROUTINEcalculate_jrho_atom_rad(qs_env, current_env, idir)

...

Arguments:
POINTER
:: qs_env ...
:: current_env ...
INTEGER,
INTENT(in)
:: idir ...