x_slater.F90 File Reference

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Modules
module	x_slater_oct_m

Functions/Subroutines
subroutine, public	x_slater_oct_m::x_slater_calc (namespace, gr, space, exxop, st, kpoints, ex, vxc)
	Interface to X(slater_calc) More...
subroutine	x_slater_oct_m::get_rotation_matrix (dens, alpha, betar, betai)
	This routine get the SU(2) matrix that diagonalize the spin-density matrix. More...
subroutine	x_slater_oct_m::rotate_to_local (mat, alpha, betar, betai, alpha2, beta2, rot_mat)
	Rotation to the local frame Given a matrix in spin space, this routine rotates according to the rotation matrix R defined by the alpha and beta coefficients \(D = R M R^T\). More...
subroutine	x_slater_oct_m::rotate_to_global (mat, alpha, betar, betai, alpha2, beta2, rot_mat)
	Rotation to the global (Cartesian) frame. More...
subroutine	x_slater_oct_m::dslater_calc (namespace, gr, space, exxop, st, kpoints, ex, vxc)
subroutine	x_slater_oct_m::zslater_calc (namespace, gr, space, exxop, st, kpoints, ex, vxc)