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

/dports/science/wannier90/wannier90-3.1.0/test-suite/library-mode-test/
H A Dtest_library.F9044 integer, parameter :: num_nnmax = 12 variable
186 print *, '#num_nnmax:', num_nnmax
190 allocate (nnlist_loc(num_kpts_loc, num_nnmax), stat=ierr)
195 allocate (nncell_loc(3, num_kpts_loc, num_nnmax), stat=ierr)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dwannier90.F108 INTEGER, PARAMETER :: num_nnmax = 12 variable
145 INTEGER, DIMENSION(num_kpts_loc, num_nnmax), &
147 INTEGER, DIMENSION(3, num_kpts_loc, num_nnmax), &
351 REAL(kind=dp) :: bb1, bbn, bk_local(3, num_nnmax, num_kpts), bweight(max_shells), ddelta, &
352 dist, dnn(search_shells), dnn0, dnn1, vkpp(3), vkpp2(3), wb_local(num_nnmax)
424 IF (nntot > num_nnmax) THEN
425 … WRITE (stdout, '(a,i2,a)') ' **WARNING: kmesh has found >', num_nnmax, ' nearest neighbours**'
H A Dqs_wannier90.F158 INTEGER, PARAMETER :: num_nnmax = 12 local
285 ALLOCATE (nnlist(num_kpts, num_nnmax))
286 ALLOCATE (nncell(3, num_kpts, num_nnmax))
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dwannier90.F108 INTEGER, PARAMETER :: num_nnmax = 12 variable
145 INTEGER, DIMENSION(num_kpts_loc, num_nnmax), &
147 INTEGER, DIMENSION(3, num_kpts_loc, num_nnmax), &
351 REAL(kind=dp) :: bb1, bbn, bk_local(3, num_nnmax, num_kpts), bweight(max_shells), ddelta, &
352 dist, dnn(search_shells), dnn0, dnn1, vkpp(3), vkpp2(3), wb_local(num_nnmax)
424 IF (nntot > num_nnmax) THEN
425 … WRITE (stdout, '(a,i2,a)') ' **WARNING: kmesh has found >', num_nnmax, ' nearest neighbours**'
H A Dqs_wannier90.F158 INTEGER, PARAMETER :: num_nnmax = 12 local
285 ALLOCATE (nnlist(num_kpts, num_nnmax))
286 ALLOCATE (nncell(3, num_kpts, num_nnmax))
/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/
H A Dwannier.f9044 integer :: num_nnmax=12 variable
H A Dpw2wannier90.f90291 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/
H A Dwannier.f9044 integer :: num_nnmax=12 variable
H A Dpw2wannier90.f90307 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/
H A Dwannier.f9044 integer :: num_nnmax=12 variable
H A Dpw2wannier90.f90307 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A DwannierEPW.f9079 INTEGER :: num_nnmax = 12 variable
H A Dpw2wan2epw.f90217 USE wannierEPW, ONLY : num_nnmax, mp_grid, atcart, atsym, kpb, g_kpb, &
291 USE wannierEPW, ONLY : num_nnmax
313 INTEGER, INTENT(out) :: nnlist_loc(num_kpts_loc, num_nnmax)
315 INTEGER, INTENT(out) :: nncell_loc(3, num_kpts_loc, num_nnmax)
355 num_nnmax = 32
383 ALLOCATE(kpb(iknum, num_nnmax), STAT = ierr)
385 ALLOCATE(g_kpb(3, iknum, num_nnmax), STAT = ierr)
/dports/science/wannier90/wannier90-3.1.0/src/
H A Dkmesh.F9054 real(kind=dp) :: bvec_inp(3, num_nnmax, max_shells)
84 real(kind=dp) :: wb_local(num_nnmax)
85 real(kind=dp) :: bk_local(3, num_nnmax, num_kpts), kpbvec(3)
206 if (nntot > num_nnmax) then
208 write (stdout, '(a,i2,a)') ' **WARNING: kmesh has found >', num_nnmax, ' nearest neighbours**'
1275 integer :: bvec_list(num_nnmax, max_shells)
H A Dwannier_lib.F9088 integer, dimension(num_kpts_loc, num_nnmax), intent(out) :: nnlist_loc
89 integer, dimension(3, num_kpts_loc, num_nnmax), intent(out) :: nncell_loc
H A Dparameters.F90485 integer, parameter, public :: num_nnmax = 12 variable
/dports/science/wannier90/wannier90-3.1.0/doc/user_guide/
H A Dwannier.tex79 \item \verb#integer, dimension(num_kpts,num_nnmax),#
82 \item \verb#integer,dimension(3,num_kpts,num_nnmax),#
139 \cond $\verb#num_nnmax# = 12$
/dports/science/wannier90/wannier90-3.1.0/pwscf/v5.0/
H A Dpw2wannier90.f9067 integer :: num_nnmax=12 variable
434 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.0/
H A Dpw2wannier90.f9071 integer :: num_nnmax=12 variable
497 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.2.1/
H A Dpw2wannier90.f9076 integer :: num_nnmax=12 variable
510 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.3/
H A Dpw2wannier90.f9079 integer :: num_nnmax=12 variable
536 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
H A Dpw2wannier90_legacy.f9076 integer :: num_nnmax=12 variable
511 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.4/
H A Dpw2wannier90.f9079 integer :: num_nnmax=12 variable
537 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.5/
H A Dpw2wannier90.f9079 integer :: num_nnmax=12 variable
537 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dpw2wannier90.f9079 integer :: num_nnmax=12 variable
541 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )