/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | set_spin_vars.f90 | 10 npol, nspin, nspin_lsda, nspin_mag, nspin_gga, current_spin ) argument 16 INTEGER, INTENT(OUT) :: npol, nspin, nspin_lsda, nspin_mag, nspin_gga local 26 nspin_lsda = 2 35 nspin_lsda = 1 51 nspin_lsda = 1
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H A D | sumkt.f90 | 45 INTEGER :: nt, nk, ns, ibnd, i, nspin_lsda local 49 nspin_lsda = 2 51 nspin_lsda = 1 56 DO ns = 1, nspin_lsda
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H A D | bp_c_phase.f90 | 176 USE noncollin_module, ONLY : noncolin, npol, nspin_lsda 342 nkort=nstring/nspin_lsda 370 DO i=1,nspin_lsda*nkort 390 DO is=1,nspin_lsda 447 DO is=1,nspin_lsda 728 DO is=1,nspin_lsda 892 IF(nspin_lsda.gt.1)THEN 896 DO istring=1,nstring/nspin_lsda 916 IF (nspin_lsda == 1) THEN 920 DO istring=1,nstring/nspin_lsda
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H A D | symme.f90 | 814 INTEGER :: irot(48), ig, isg, igl, ng, ns, nspin_lsda, is local 830 nspin_lsda = 1 833 nspin_lsda = nspin_ 905 DO is=1,nspin_lsda 911 DO is=1,nspin_lsda 919 DO is=1,nspin_lsda 945 DO is=1,nspin_lsda 954 DO is=1,nspin_lsda
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H A D | paw_symmetry.f90 | 37 USE noncollin_module, ONLY : nspin_lsda 108 DO is = 1, nspin_lsda 300 USE noncollin_module, ONLY : nspin_lsda 371 DO is = 1, nspin_lsda 542 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 611 DO is = 1, nspin_lsda 821 USE noncollin_module, ONLY : nspin_mag, nspin_lsda 921 DO is = 1, nspin_lsda 1105 DO is = 1, nspin_lsda 1135 USE noncollin_module, ONLY : nspin_lsda, nspin_mag [all …]
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H A D | exx_base.f90 | 167 USE noncollin_module, ONLY : nspin_lsda 208 IF (nkstot == nspin_lsda) THEN 340 ALLOCATE( xkq_collect(3,nspin_lsda*nkqs), index_xk(nspin_lsda*nkqs), & 341 index_sym(nspin_lsda*nkqs) ) 369 IF (nspin_lsda == 2) THEN
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H A D | setup.f90 | 84 angle1, angle2, bfield, ux, nspin_lsda, & 218 npol, nspin, nspin_lsda, nspin_mag, nspin_gga, current_spin ) 280 DO is = 1, nspin_lsda 291 if (f_inp(ibnd,is) > 2.d0/nspin_lsda .or. f_inp(ibnd,is) < 0.d0) &
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H A D | tetra.f90 | 621 INTEGER :: nspin_lsda local 635 nspin_lsda = 2 637 nspin_lsda = 1 640 DO ns = 1, nspin_lsda 863 INTEGER :: nspin_lsda local 877 nspin_lsda = 2 879 nspin_lsda = 1 882 DO ns = 1, nspin_lsda
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | addnlcc.f90 | 21 USE noncollin_module, ONLY : nspin_lsda, nspin_gga, nspin_mag 69 fac = 1.d0 / DBLE (nspin_lsda) 81 do is = 1, nspin_lsda 84 do is = 1, nspin_lsda 102 do is = 1, nspin_lsda 110 do is = 1, nspin_lsda
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H A D | syme.f90 | 22 USE noncollin_module, only : nspin_lsda, nspin_mag 39 do is = 1, nspin_lsda 48 do is = 1, nspin_lsda
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H A D | addnlcc_zstar_eu_us.f90 | 19 USE noncollin_module, ONLY : nspin_lsda, nspin_gga, nspin_mag 55 fac = 1.d0 / DBLE (nspin_lsda) 86 DO is = 1, nspin_lsda
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H A D | drhodvloc.f90 | 21 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 54 do is = 1, nspin_lsda
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H A D | symdvscf.f90 | 24 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 71 do is = 1, nspin_lsda 108 do is = 1, nspin_lsda
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H A D | ef_shift.f90 | 35 USE noncollin_module, ONLY : noncolin, npol, nspin_mag, nspin_lsda 94 do is = 1, nspin_lsda 193 USE noncollin_module, ONLY : noncolin, npol, nspin_lsda, nspin_mag 250 do is = 1, nspin_lsda
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H A D | drho.f90 | 27 USE noncollin_module, ONLY : noncolin, npol, nspin_lsda, nspin_mag 156 do is = 1, nspin_lsda
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H A D | addusdynmat.f90 | 26 USE noncollin_module, ONLY : nspin_lsda 178 do is = 1, nspin_lsda
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/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/ |
H A D | dv_of_drho.f90 | 27 USE noncollin_module, ONLY : nspin_lsda, nspin_mag, nspin_gga 78 fac = 1.d0 / DBLE (nspin_lsda) 82 do is = 1, nspin_lsda 107 do is = 1, nspin_lsda 131 do is = 1, nspin_lsda 150 do is = 1, nspin_lsda 185 do is = 1, nspin_lsda 210 do is = 1, nspin_lsda
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H A D | dfpt_tetra_mod.f90 | 265 nspin_lsda = 2 267 nspin_lsda = 1 270 DO ns = 1, nspin_lsda 410 nspin_lsda = 2 412 nspin_lsda = 1 415 DO ns = 1, nspin_lsda 727 nspin_lsda = 2 729 nspin_lsda = 1 732 DO ns = 1, nspin_lsda 985 nspin_lsda = 2 [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | write_proj.f90 | 29 INTEGER :: ik, ik_eff, is, nwfc, ibnd, nspin_lsda, num_k_points local 35 nspin_lsda = 1 36 IF ( nspin == 2 ) nspin_lsda = 2 37 num_k_points = nkstot / nspin_lsda 47 CALL add_attr ("NUMBER_OF_SPIN_COMPONENTS", nspin_lsda) 56 DO is = 1, nspin_lsda 87 DO is = 1, nspin_lsda
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H A D | open_grid.f90 | 14 USE noncollin_module, ONLY : noncolin, m_loc, angle1, angle2, nspin_lsda 206 CALL init_start_k(nq1,nq2,nq3, k1, k2, k3, "automatic",nks/nspin_lsda, xk, wk) 227 DO ik = 1, nks/nspin_lsda
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_symdvscf.f90 | 20 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 67 do is = 1, nspin_lsda 128 DO is = 1, nspin_lsda
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H A D | hp_efermi_shift.f90 | 35 USE noncollin_module, ONLY : nspin_mag, nspin_lsda 67 DO is = 1, nspin_lsda
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_sym_eels.f90 | 24 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 124 DO is = 1, nspin_lsda
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H A D | paw_add_symmetry.f90 | 34 USE noncollin_module, ONLY : nspin_lsda, nspin_mag 99 DO is = 1, nspin_lsda
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | noncol.f90 | 20 nspin_lsda = 1, & ! =1 when nspin=1,4 =2 when nspin=2 variable
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