m_bvector Module Reference

Functions/Subroutines
subroutine	generate_bvectors (b1, b2, b3, nkb1, nkb2, nkb3, nbmax, maxshell, verbosity, nb, bvec_frac, bvec_cart, weight)
subroutine	SVD (m, n, k, A, nrank, S, U, VT)
subroutine	quicksort_double_arg (n, array, ind, first, last)

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Function/Subroutine Documentation

subroutine m_bvector::generate_bvectors	(	real(8),dimension(3),intent(in)	b1,
		real(8),dimension(3),intent(in)	b2,
		real(8),dimension(3),intent(in)	b3,
		integer,intent(in)	nkb1,
		integer,intent(in)	nkb2,
		integer,intent(in)	nkb3,
		integer,intent(in)	nbmax,
		integer,intent(in)	maxshell,
		integer,intent(in)	verbosity,
		integer,intent(out)	nb,
		real(8),dimension(3,nbmax),intent(out)	bvec_frac,
		real(8),dimension(3,nbmax),intent(out)	bvec_cart,
		real(8),dimension(nbmax),intent(out)	weight
	)

Definition at line 12 of file m_bvector_20171208.f90.

References quicksort_double_arg(), and SVD().

Referenced by WANNIER().

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subroutine m_bvector::quicksort_double_arg	(	integer,intent(in)	n,
		real(8),dimension(n),intent(inout)	array,
		integer,dimension(n),intent(inout)	ind,
		integer,intent(in)	first,
		integer,intent(in)	last
	)

Definition at line 408 of file m_bvector_20171208.f90.

Referenced by generate_bvectors().

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subroutine m_bvector::SVD	(	integer,intent(in)	m,
		integer,intent(in)	n,
		integer,intent(in)	k,
		real(8),dimension(m, n),intent(in)	A,
		integer,intent(out)	nrank,
		real(8),dimension(k),intent(out)	S,
		real(8),dimension(m, m),intent(out)	U,
		real(8),dimension(n, n),intent(out)	VT
	)

Definition at line 370 of file m_bvector_20171208.f90.

Referenced by generate_bvectors().

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