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Searched refs:minus_q (Results 1 – 25 of 63) sorted by relevance

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/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Dset_small_group_of_q.f9030 LOGICAL, INTENT(INOUT) :: minus_q, invsymq local
38 CALL smallg_q (xq, modenum, at, bg, nsym, s, sym, minus_q)
40 IF ( .not. time_reversal ) minus_q = .false.
49 CALL mode_group (modenum, xq, at, bg, nat, nsym, s, irt, minus_q, &
109 logical, intent(inout) :: sym (48), minus_q local
131 minus_q = .true.
137 minus_q = .false.
166 if (sym(irot).and..not.minus_q) then
168 minus_q = eqvect (raq, aq, zero, accep)
175 if (modenum.ne.0) minus_q = .false.
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.f9031 LOGICAL, INTENT(IN) :: minus_q local
102 if (minus_q.and.irotmq==0) then
121 IF (minus_q.AND. irotmq == 0 ) &
H A Dmode_group.f9010 (modenum, xq, at, bg, nat, nrot, s, irt, minus_q, rtau, sym) argument
34 logical, intent(in) :: minus_q local
79 if (isym.eq.nrot.and.minus_q) then
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dobsolete.f9016 minus_q, gi, gimq) argument
49 logical :: minus_q local
72 minus_q = .false.
119 minus_q = .true.
512 logical :: minus_q local
541 if (minus_q) then
605 logical :: minus_q local
653 if (minus_q) then
794 logical :: minus_q local
817 if (minus_q) then
[all …]
H A Dsymdyn_munu.f9010 bg, nsymq, nat, irotmq, minus_q) argument
35 logical :: minus_q local
71 irotmq, minus_q)
H A Dsym_def.f9020 USE lr_symm_base, ONLY : minus_q, nsymq
39 if (nsymq == 1 .and. (.not.minus_q) ) return
43 if (minus_q) then
H A Dinit_representations.f9034 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, nsymq, invsymq, rtau
58 minus_q = (modenum .eq. 0)
59 IF ( .not. time_reversal ) minus_q = .false.
68 CALL set_small_group_of_q(nsymq,invsymq,minus_q)
77 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
H A Dq2qstar.f9049 USE lr_symm_base, ONLY : rtau, nsymq, minus_q, irotmq, gi, gimq
157 minus_q = .true.
160 CALL smallg_q(xq, 0, at, bg, nsym, s, sym, minus_q)
165 call set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
167 IF(minus_q) WRITE(stdout, '(10x,a)') "in addition sym. q -> -q+G:"
180 irotmq, minus_q)
H A Dset_irr_sym.f9029 USE lr_symm_base, ONLY : nsymq, irotmq, rtau, minus_q
63 if (minus_q) then
102 if ((isymq.eq.nsymtot.and.minus_q).OR.(t_rev(irot)==1)) then
129 if (isymq.eq.nsymtot.and.minus_q) then
H A Dsymdynph_gq.f9010 nat, irotmq, minus_q) argument
43 logical :: minus_q local
76 if ( (nsymq == 1) .and. (.not.minus_q) ) return
80 if (minus_q) then
H A Dphq_setup.f9097 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, invsymq, nsymq, rtau
228 minus_q=.TRUE.
235 IF (nsymq==0) CALL set_small_group_of_q(nsymq, invsymq, minus_q)
236 IF ( .NOT. time_reversal ) minus_q = .FALSE.
241 minus_q = .FALSE.
252 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
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)
286 call mp_bcast (minus_q, ionode_id, intra_image_comm)
H A Drandom_matrix.f9055 logical :: lgamma, minus_q local
83 if (minus_q) then
H A Dpsym_dmag.f9021 USE lr_symm_base, ONLY : minus_q, nsymq
40 IF (nsymq.EQ.1.AND. (.NOT.minus_q) ) RETURN
H A Dpsymdvscf.f9021 USE lr_symm_base, ONLY : nsymq, minus_q
40 IF (nsymq.EQ.1.AND. (.NOT.minus_q) ) RETURN
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_smallgq.f9028 USE lr_symm_base, ONLY : nsymq, invsymq, gi, minus_q
98 minus_q = eqvect (raq, aq, zero, accep)
99 if (minus_q) CALL errore( 'lr_smalgq', 'minus_q=.true., &
159 minus_q = .false.
167 CALL mp_bcast (minus_q, 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
119 IF (minus_q) THEN
130 IF (minus_q) THEN
/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
35 logical :: minus_q local
71 irotmq, minus_q)
90 bg, nsymq, nat, irotmq, minus_q) argument
116 logical :: minus_q local
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_setup_q.f9070 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, invsymq, nsymq, rtau
125 minus_q = .TRUE.
127 minus_q = .FALSE.
140 CALL set_giq (xq,s,nsymq,nsym,irotmq,minus_q,gi,gimq)
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
58 IF (minus_q) WRITE( stdout, '(5x," + the symmetry q -> -q+G ")')
68 IF (minus_q) THEN
H A Dhp_psymdvscf.f9017 USE lr_symm_base, ONLY : nsymq, minus_q
30 IF (nsymq == 1 .AND. (.NOT.minus_q) ) RETURN
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Depw_setup.f9036 USE lr_symm_base, ONLY : gi, gimq, irotmq, minus_q, nsymq, invsymq, rtau
148 CALL set_small_group_of_q(nsymq, invsymq, minus_q)
151 minus_q = .FALSE.
156 minus_q = .FALSE.
170 CALL set_giq(xq, s, nsymq, nsym, irotmq, minus_q, gi, gimq)
H A Depw_summary.f9035 USE lr_symm_base, ONLY : irotmq, minus_q, nsymq
123 IF (nsymq <= 1 .AND. .NOT. minus_q) THEN
126 IF (minus_q) THEN
136 IF (minus_q) THEN
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/simple_transport/src/
H A Dlint.f901 subroutine lint ( nsym, s, minus_q, at, bg, npk, k1,k2,k3, & argument
7 logical, intent (IN) :: minus_q ! use .true. local
75 & deltap(3)**2 ) < eps .or. ( minus_q .and. &

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