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Searched refs:nspin_lsda (Results 1 – 25 of 36) sorted by relevance

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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dset_spin_vars.f9010 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
H A Dsumkt.f9045 INTEGER :: nt, nk, ns, ibnd, i, nspin_lsda local
49 nspin_lsda = 2
51 nspin_lsda = 1
56 DO ns = 1, nspin_lsda
H A Dbp_c_phase.f90176 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
H A Dsymme.f90814 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
H A Dpaw_symmetry.f9037 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 …]
H A Dexx_base.f90167 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
H A Dsetup.f9084 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) &
H A Dtetra.f90621 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
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Daddnlcc.f9021 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
H A Dsyme.f9022 USE noncollin_module, only : nspin_lsda, nspin_mag
39 do is = 1, nspin_lsda
48 do is = 1, nspin_lsda
H A Daddnlcc_zstar_eu_us.f9019 USE noncollin_module, ONLY : nspin_lsda, nspin_gga, nspin_mag
55 fac = 1.d0 / DBLE (nspin_lsda)
86 DO is = 1, nspin_lsda
H A Ddrhodvloc.f9021 USE noncollin_module, ONLY : nspin_lsda, nspin_mag
54 do is = 1, nspin_lsda
H A Dsymdvscf.f9024 USE noncollin_module, ONLY : nspin_lsda, nspin_mag
71 do is = 1, nspin_lsda
108 do is = 1, nspin_lsda
H A Def_shift.f9035 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
H A Ddrho.f9027 USE noncollin_module, ONLY : noncolin, npol, nspin_lsda, nspin_mag
156 do is = 1, nspin_lsda
H A Daddusdynmat.f9026 USE noncollin_module, ONLY : nspin_lsda
178 do is = 1, nspin_lsda
/dports/science/quantum-espresso/q-e-qe-6.7.0/LR_Modules/
H A Ddv_of_drho.f9027 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
H A Ddfpt_tetra_mod.f90265 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 …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dwrite_proj.f9029 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
H A Dopen_grid.f9014 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
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_symdvscf.f9020 USE noncollin_module, ONLY : nspin_lsda, nspin_mag
67 do is = 1, nspin_lsda
128 DO is = 1, nspin_lsda
H A Dhp_efermi_shift.f9035 USE noncollin_module, ONLY : nspin_mag, nspin_lsda
67 DO is = 1, nspin_lsda
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_sym_eels.f9024 USE noncollin_module, ONLY : nspin_lsda, nspin_mag
124 DO is = 1, nspin_lsda
H A Dpaw_add_symmetry.f9034 USE noncollin_module, ONLY : nspin_lsda, nspin_mag
99 DO is = 1, nspin_lsda
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dnoncol.f9020 nspin_lsda = 1, & ! =1 when nspin=1,4 =2 when nspin=2 variable

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