/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
H A D | set_small_group_of_q.f90 | 30 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.
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H A D | setup_nscf.f90 | 46 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,&
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H A D | smallgq.f90 | 31 LOGICAL, INTENT(IN) :: minus_q local 102 if (minus_q.and.irotmq==0) then 121 IF (minus_q.AND. irotmq == 0 ) &
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H A D | mode_group.f90 | 10 (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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | obsolete.f90 | 16 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 …]
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H A D | symdyn_munu.f90 | 10 bg, nsymq, nat, irotmq, minus_q) argument 35 logical :: minus_q local 71 irotmq, minus_q)
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H A D | sym_def.f90 | 20 USE lr_symm_base, ONLY : minus_q, nsymq 39 if (nsymq == 1 .and. (.not.minus_q) ) return 43 if (minus_q) then
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H A D | init_representations.f90 | 34 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)
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H A D | q2qstar.f90 | 49 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)
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H A D | set_irr_sym.f90 | 29 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
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H A D | symdynph_gq.f90 | 10 nat, irotmq, minus_q) argument 43 logical :: minus_q local 76 if ( (nsymq == 1) .and. (.not.minus_q) ) return 80 if (minus_q) then
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H A D | phq_setup.f90 | 97 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)
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H A D | set_irr.f90 | 42 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)
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H A D | random_matrix.f90 | 55 logical :: lgamma, minus_q local 83 if (minus_q) then
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H A D | psym_dmag.f90 | 21 USE lr_symm_base, ONLY : minus_q, nsymq 40 IF (nsymq.EQ.1.AND. (.NOT.minus_q) ) RETURN
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H A D | psymdvscf.f90 | 21 USE lr_symm_base, ONLY : nsymq, minus_q 40 IF (nsymq.EQ.1.AND. (.NOT.minus_q) ) RETURN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_smallgq.f90 | 28 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)
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H A D | lr_summary.f90 | 37 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/ |
H A D | symdyn_munu.f90 | 10 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_setup_q.f90 | 70 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)
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H A D | hp_summary_q.f90 | 29 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
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H A D | hp_psymdvscf.f90 | 17 USE lr_symm_base, ONLY : nsymq, minus_q 30 IF (nsymq == 1 .AND. (.NOT.minus_q) ) RETURN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
H A D | epw_setup.f90 | 36 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)
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H A D | epw_summary.f90 | 35 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/simple_transport/src/ |
H A D | lint.f90 | 1 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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