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Searched refs:nsymq (Results 1 – 25 of 79) sorted by relevance

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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_sym_eels.f9026 USE lr_symm_base, ONLY : minus_q, nsymq, irotmq, gi, gimq
44 IF (nsymq==1) RETURN
55 ALLOCATE ( ftau(3, nsymq), s_scaled(3,3, nsymq) )
56 CALL scale_sym_ops (nsymq, s, ft, dfftp%nr1, dfftp%nr2, dfftp%nr3, &
114 DO isym = 1, nsymq
128 DO isym = 1, nsymq
138 DO isym = 1, nsymq
151 DO isym = 1, nsymq
157 DO isym = 1, nsymq
163 DO isym = 1, nsymq
[all …]
H A Dlr_smallgq.f9028 USE lr_symm_base, ONLY : nsymq, invsymq, gi, minus_q
61 nsymq = 1
111 nsymq = copy_sym ( nsym, sym )
117 DO isym = 1, nsymq
147 DO isym = 1, nsymq
165 CALL mp_bcast (nsymq, ionode_id, intra_image_comm)
H A Dlr_summary.f9037 USE lr_symm_base, ONLY : irotmq, irgq, minus_q, nsymq
116 IF (nsymq.le.1.and..not.minus_q) THEN
120 WRITE( stdout, '(5x,i2," Sym.Ops. (with q -> -q+G )",/)') nsymq + 1
122 WRITE( stdout, '(5x,i2," Sym.Ops. (no q -> -q+G )",/)') nsymq
131 nsymtot = nsymq + 1
133 nsymtot = nsymq
138 IF (isymq.gt.nsymq) THEN
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dsymmorphic_or_nzb.f9019 USE lr_symm_base, ONLY : gi, nsymq
24 REAL(DP) :: ft_(3,nsymq)
26 is_symmorphic=.NOT.(ANY( ABS(ft(:,1:nsymq)) > 1.0d-8 ) )
32 ft_(:,1:nsymq) = ft(:,1:nsymq)
33 CALL cryst_to_cart(nsymq, ft_, at, 1)
35 DO isym=1,nsymq
36 DO jsym=1,nsymq
H A Dsymdvscf.f9027 USE lr_symm_base, ONLY : minus_q, irotmq, nsymq, gi, gimq
34 integer :: ftau(3,nsymq), s_scaled(3,3,nsymq)
51 if (nsymq == 1.and. (.not.minus_q) ) return
63 CALL scale_sym_ops( nsymq, s, ft, dfftp%nr1, dfftp%nr2, dfftp%nr3, &
101 do isym = 1, nsymq
110 do isym = 1, nsymq
116 do isym = 1, nsymq
136 do isym = 1, nsymq
140 do isym = 1, nsymq
144 do isym = 1, nsymq
[all …]
H A Dsym_dmag.f9028 USE lr_symm_base, ONLY : minus_q, irotmq, nsymq, gi, gimq
39 integer :: ftau(3,nsymq), s_scaled(3,3,nsymq)
66 if (nsymq == 1.and. (.not.minus_q) ) return
78 CALL scale_sym_ops( nsymq, s, ft, dfftp%nr1, dfftp%nr2, dfftp%nr3, &
143 do isym = 1, nsymq
161 do isym = 1, nsymq
167 do isym = 1, nsymq
207 do isym = 1, nsymq
211 do isym = 1, nsymq
215 do isym = 1, nsymq
[all …]
H A Dobsolete.f9081 nsymq = 0
91 nsymq = nsymq + 1
92 irgq (nsymq) = isym
252 DO isym=1,nsymq
654 nsymtot = nsymq + 1
656 nsymtot = nsymq
818 nsymtot = nsymq + 1
820 nsymtot = nsymq
1041 nsymq, irotmq local
1156 nsymq, irotmq local
[all …]
H A Dinit_representations.f9034 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, nsymq, invsymq, rtau
68 CALL set_small_group_of_q(nsymq,invsymq,minus_q)
77 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
84 IF (search_sym) CALL prepare_sym_analysis(nsymq,sr,t_rev,magnetic_sym)
91 CALL mp_bcast (nsymq, root, world_comm)
134 USE lr_symm_base, ONLY : nsymq
156 nsymq_iq(iq) = nsymq
H A Dsym_def.f9020 USE lr_symm_base, ONLY : minus_q, nsymq
39 if (nsymq == 1 .and. (.not.minus_q) ) return
60 do isym = 1, nsymq
71 def = w_def / DBLE(nsymq)
H A Dsymdynph_gq.f9031 nsymq, irotmq local
76 if ( (nsymq == 1) .and. (.not.minus_q) ) return
114 if (nsymq == 1) return
121 do isymq = 1, nsymq
150 do isymq = 1, nsymq
177 phi (:, :, :, :) = phi (:, :, :, :) / DBLE(nsymq)
H A Delph_scdft_mod.f9049 USE lr_symm_base, ONLY : minus_q, nsymq, rtau
78 nsymqbz = nsymq
79 IF(minus_q) nsymqbz = nsymq * 2
83 symq(1:3,1:3,1:nsymq) = s(1:3,1:3,1:nsymq)
84 IF(minus_q) symq(1:3,1:3,nsymq+1:nsymq+nsymq) = - s(1:3,1:3,1:nsymq)
101 CALL lint (nsymq, s, minus_q, at, bg, npk, 0, 0, 0, &
104 CALL lint (nsymq, s, minus_q, at, bg, npk, 0, 0, 0, &
H A Dsymdyn_munu.f9010 bg, nsymq, nat, irotmq, minus_q) argument
20 nsymq, irotmq local
70 call symdynph_gq_new (xq, phi, s, invs, rtau, irt, nsymq, nat, &
H A Dset_irr_sym.f9029 USE lr_symm_base, ONLY : nsymq, irotmq, rtau, minus_q
64 nsymtot = nsymq + 1
66 nsymtot = nsymq
69 if (isymq.le.nsymq) then
153 if(isymq<=nsymq) then
H A Dphq_summary.f9045 USE lr_symm_base, ONLY : irotmq, minus_q, nsymq
158 if (nsymq.le.1.and..not.minus_q) then
163 nsymq + 1
165 WRITE( stdout, '(5x,i2," Sym.Ops. (no q -> -q+G )",/)') nsymq
173 nsymtot = nsymq + 1
175 nsymtot = nsymq
178 if (isymq.gt.nsymq) then
H A Dset_irr.f9042 USE lr_symm_base, ONLY : nsymq, minus_q, irotmq, gi, gimq, rtau
88 call random_matrix_new (irt,nsymq,minus_q,irotmq,nat,wdyn,lgamma)
93 call symdynph_gq_new (xq,wdyn,s,invs,rtau,irt,nsymq,nat,irotmq,minus_q)
143 CALL find_mode_sym_new (u, eigen, tau, nat, nsymq, s, sr, irt, xq, &
282 call mp_bcast (nsymq, ionode_id, intra_image_comm)
H A Dphq_setup.f9097 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, invsymq, nsymq, rtau
129 IF (nsymq==0) CALL errore('phq_setup', &
227 nsymq=nsym
235 IF (nsymq==0) CALL set_small_group_of_q(nsymq, invsymq, minus_q)
252 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
257 IF (search_sym) CALL prepare_sym_analysis(nsymq,sr,t_rev,magnetic_sym)
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_symdvscf.f9023 USE lr_symm_base, ONLY : minus_q, irotmq, nsymq, gi, gimq
42 if (nsymq == 1 .and. (.not.minus_q) ) return
52 CALL scale_sym_ops( nsymq, s, ft, dfftp%nr1, dfftp%nr2, dfftp%nr3, &
110 DO isym = 1, nsymq
121 DO isym = 1, nsymq
132 do isym = 1, nsymq
142 do isym = 1, nsymq
157 do isym = 1, nsymq
163 do isym = 1, nsymq
169 do isym = 1, nsymq
[all …]
H A Dhp_summary_q.f9029 USE lr_symm_base, ONLY : irotmq, minus_q, nsymq
54 IF (nsymq.le.1.and..not.minus_q) THEN
57 WRITE( stdout, '(/5x,"Number of symmetries in the small group of q, nsymq = ",i2)') nsymq
69 nsymtot = nsymq + 1
71 nsymtot = nsymq
76 IF (isymq.GT.nsymq) THEN
H A Dhp_setup_q.f9070 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, invsymq, nsymq, rtau
122 nsymq = nsym
140 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
145 is_symmorphic = .NOT.( ANY( ABS(ft(:,1:nsymq)) > 1.d-8 ) )
152 DO isym = 1, nsymq
H A Dhp_clean_q.f9017 USE lr_symm_base, ONLY : nsymq
28 nsymq = 0
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/
H A Dsymdyn_munu.f9010 bg, nsymq, nat, irotmq, minus_q) argument
20 nsymq, irotmq local
70 call symdynph_gq_new (xq, phi, s, invs, rtau, irt, nsymq, nat, &
90 bg, nsymq, nat, irotmq, minus_q) argument
101 nsymq, irotmq local
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Depw_summary.f9035 USE lr_symm_base, ONLY : irotmq, minus_q, nsymq
123 IF (nsymq <= 1 .AND. .NOT. minus_q) THEN
128 nsymq + 1
130 WRITE(stdout, '(5x,i2," Sym.Ops. (no q -> -q+G )",/)') nsymq
137 nsymtot = nsymq + 1
139 nsymtot = nsymq
142 IF (isymq > nsymq) THEN
H A Depw_setup.f9036 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, nsymq, invsymq, rtau
147 IF (nsymq == 0) THEN
148 CALL set_small_group_of_q(nsymq, invsymq, minus_q)
170 CALL set_giq(xq, s, nsymq, nsym, irotmq, minus_q, gi, gimq)
178 CALL prepare_sym_analysis(nsymq, sr, t_rev, magnetic_sym)
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Dsetup_nscf.f9046 USE lr_symm_base, ONLY : nsymq, invsymq, minus_q
91 CALL set_small_group_of_q(nsymq,invsymq,minus_q)
123 CALL irreducible_BZ (nrot, s, nsymq, minus_q, magnetic_sym, &
152 CALL opt_tetra_init(nsymq, s, time_reversal .AND. minus_q, t_rev, at, bg,&
H A Dsmallgq.f9033 INTEGER, INTENT(IN) :: s (3, 3, 48), nsymq, nsym local
69 do isym = 1, nsymq
103 do isym = nsymq+1,nsym

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