qs_spin_orbit Module Reference

Distribution of the spin orbit integral matrix. More...

Functions/Subroutines
subroutine, public	build_pso_matrix (qs_env, matrix_so, rc)
	Calculation of the paramagnetic spin orbit matrix over Cartesian Gaussian functions. More...

Detailed Description

Distribution of the spin orbit integral matrix.

History

Author

VW (27.02.2009)

Function/Subroutine Documentation

build_pso_matrix()

subroutine, public qs_spin_orbit::build_pso_matrix	(	type(qs_environment_type), pointer	qs_env,
		type(dbcsr_p_type), dimension(:), pointer	matrix_so,
		real(dp), dimension(3), intent(in)	rc
	)

Calculation of the paramagnetic spin orbit matrix over Cartesian Gaussian functions.

Parameters

qs_env	...
matrix_so	...
rc	...

Date

27.02.2009

Author

VW

Version

1.0

Definition at line 73 of file qs_spin_orbit.F.

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