calc_int_sub.F File Reference

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Functions/Subroutines
subroutine	search_kq (NTK, SK0, q1, q2, q3, ik, ikq, shift_G)
subroutine	calc_InterStateMatrix (NTK, NTG, NG0, KG0, C0_K, C0_KQ, ik, ikq, nwx2, nwy2, nwz2, nfft1, nfft2, Nl123, wfunc, fftwk, fs, LG0, NG_for_eps, shift_G, m_tmp)
subroutine	make_eps (NTG, NTGQ, ne, itrs, NG, LGtmp, RWtmp, rginvtmp, pgtmp, nnp, L1, L2, L3, packtmp, epsirr, epsmk)
subroutine	OUTER_PRODUCT (vec_x, vec_y, vec_z)
subroutine	search_q (SQI, SQ)
subroutine	kcheck (ktmp, RWtmp)
subroutine	kcheck_trs (ktmp, RWtmp)
subroutine	make_LG0 (NTG, b1, b2, b3, Gcut_for_eps, Gcut_for_psi, q1, q2, q3, LG0, NG_for_eps, NG_for_psi)
subroutine	make_KG0 (NTG, b1, b2, b3, Gcut, q1, q2, q3, KG0, NG)

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Function Documentation

subroutine calc_InterStateMatrix	(	integer	NTK,
		integer	NTG,
		integer,dimension(ntk)	NG0,
		integer,dimension(3,ntg,ntk)	KG0,
		complex(8),dimension(ntg)	C0_K,
		complex(8),dimension(ntg)	C0_KQ,
		integer	ik,
		integer	ikq,
		integer	nwx2,
		integer	nwy2,
		integer	nwz2,
		integer	nfft1,
		integer	nfft2,
		integer	Nl123,
		real(8),dimension(nl123*2)	wfunc,
		real(8),dimension(nl123*2)	fftwk,
		type(fft3_struct)	fs,
		integer,dimension(3,ntg)	LG0,
		integer	NG_for_eps,
		integer,dimension(3)	shift_G,
		complex(kind=8),dimension(ng_for_eps)	m_tmp
	)

Definition at line 102 of file calc_int_sub.F.

References fft_3d::fft3_bw(), and fft_3d::fft3_fw().

Referenced by __chiqw.F__(), GW(), MAIN(), and MATRIX_J().

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subroutine kcheck	(	real(8),dimension(3),intent(inout)	ktmp,
		integer,dimension(3),intent(out)	RWtmp
	)

Definition at line 342 of file calc_int_sub.F.

Referenced by __chiqw.F__(), est_NTK(), MAIN(), MATRIX_J(), m_rd_dat_wfn::rd_dat_sample_k(), m_rd_dat_eps::rd_dat_sq(), and WANNIER().

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subroutine kcheck_trs	(	real(8),dimension(3),intent(inout)	ktmp,
		integer,dimension(3),intent(out)	RWtmp
	)

Definition at line 395 of file calc_int_sub.F.

Referenced by __chiqw.F__(), est_NTK(), MAIN(), MATRIX_J(), m_rd_dat_wfn::rd_dat_sample_k(), m_rd_dat_eps::rd_dat_sq(), and WANNIER().

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subroutine make_eps	(	integer	NTG,
		integer	NTGQ,
		integer	ne,
		integer	itrs,
		integer	NG,
		integer,dimension(3,ntg)	LGtmp,
		integer,dimension(3)	RWtmp,
		real(8),dimension(3,3)	rginvtmp,
		integer,dimension(3)	pgtmp,
		integer	nnp,
		integer	L1,
		integer	L2,
		integer	L3,
		integer,dimension(-l1:l1,-l2:l2,-l3:l3)	packtmp,
		complex(4),dimension(ntgq,ntgq,ne)	epsirr,
		complex(4),dimension(ntgq,ntgq,ne)	epsmk
	)

Definition at line 222 of file calc_int_sub.F.

Referenced by GW(), MAIN(), and MATRIX_J().

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subroutine make_KG0	(	integer,intent(in)	NTG,
		real(8),dimension(3),intent(in)	b1,
		real(8),dimension(3),intent(in)	b2,
		real(8),dimension(3),intent(in)	b3,
		real(8),intent(in)	Gcut,
		real(8),intent(in)	q1,
		real(8),intent(in)	q2,
		real(8),intent(in)	q3,
		integer,dimension(3,ntg),intent(out)	KG0,
		integer,intent(out)	NG
	)

Definition at line 506 of file calc_int_sub.F.

Referenced by __chiqw.F__(), MAIN(), MATRIX_J(), m_rd_dat_wfn::rd_dat_kg(), and WANNIER().

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subroutine make_LG0	(	integer	NTG,
		real(8),dimension(3)	b1,
		real(8),dimension(3)	b2,
		real(8),dimension(3)	b3,
		real(8)	Gcut_for_eps,
		real(8)	Gcut_for_psi,
		real(8)	q1,
		real(8)	q2,
		real(8)	q3,
		integer,dimension(3,ntg)	LG0,
		integer	NG_for_eps,
		integer	NG_for_psi
	)

Definition at line 447 of file calc_int_sub.F.

Referenced by MAIN(), MATRIX_J(), and m_rd_dat_eps::rd_dat_sq().

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subroutine OUTER_PRODUCT	(	real(8),dimension(3)	vec_x,
		real(8),dimension(3)	vec_y,
		real(8),dimension(3)	vec_z
	)

Definition at line 313 of file calc_int_sub.F.

Referenced by __chiqw.F__(), MAIN(), MATRIX_J(), m_rd_dat_zvo::rd_dat_geom(), m_rd_dat_wfn::rd_dat_lattice(), and WANNIER().

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subroutine search_kq	(	integer	NTK,
		real(8),dimension(3,ntk)	SK0,
		real(8)	q1,
		real(8)	q2,
		real(8)	q3,
		integer	ik,
		integer	ikq,
		integer,dimension(3)	shift_G
	)

Definition at line 1 of file calc_int_sub.F.

Referenced by __chiqw.F__(), GW(), MAIN(), and MATRIX_J().

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subroutine search_q	(	real(8),dimension(3)	SQI,
		real(8),dimension(3)	SQ
	)

Definition at line 322 of file calc_int_sub.F.