/dports/science/wannier90/wannier90-3.1.0/test-suite/library-mode-test/ |
H A D | test_library.F90 | 44 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | wannier90.F | 108 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**'
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H A D | qs_wannier90.F | 158 INTEGER, PARAMETER :: num_nnmax = 12 local 285 ALLOCATE (nnlist(num_kpts, num_nnmax)) 286 ALLOCATE (nncell(3, num_kpts, num_nnmax))
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | wannier90.F | 108 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**'
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H A D | qs_wannier90.F | 158 INTEGER, PARAMETER :: num_nnmax = 12 local 285 ALLOCATE (nnlist(num_kpts, num_nnmax)) 286 ALLOCATE (nncell(3, num_kpts, num_nnmax))
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v3.2.3/ |
H A D | wannier.f90 | 44 integer :: num_nnmax=12 variable
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H A D | pw2wannier90.f90 | 291 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.0/ |
H A D | wannier.f90 | 44 integer :: num_nnmax=12 variable
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H A D | pw2wannier90.f90 | 307 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v4.1/ |
H A D | wannier.f90 | 44 integer :: num_nnmax=12 variable
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H A D | pw2wannier90.f90 | 307 allocate( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/ |
H A D | wannierEPW.f90 | 79 INTEGER :: num_nnmax = 12 variable
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H A D | pw2wan2epw.f90 | 217 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)
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/dports/science/wannier90/wannier90-3.1.0/src/ |
H A D | kmesh.F90 | 54 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)
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H A D | wannier_lib.F90 | 88 integer, dimension(num_kpts_loc, num_nnmax), intent(out) :: nnlist_loc 89 integer, dimension(3, num_kpts_loc, num_nnmax), intent(out) :: nncell_loc
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H A D | parameters.F90 | 485 integer, parameter, public :: num_nnmax = 12 variable
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/dports/science/wannier90/wannier90-3.1.0/doc/user_guide/ |
H A D | wannier.tex | 79 \item \verb#integer, dimension(num_kpts,num_nnmax),# 82 \item \verb#integer,dimension(3,num_kpts,num_nnmax),# 139 \cond $\verb#num_nnmax# = 12$
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v5.0/ |
H A D | pw2wannier90.f90 | 67 integer :: num_nnmax=12 variable 434 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.0/ |
H A D | pw2wannier90.f90 | 71 integer :: num_nnmax=12 variable 497 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.2.1/ |
H A D | pw2wannier90.f90 | 76 integer :: num_nnmax=12 variable 510 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.3/ |
H A D | pw2wannier90.f90 | 79 integer :: num_nnmax=12 variable 536 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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H A D | pw2wannier90_legacy.f90 | 76 integer :: num_nnmax=12 variable 511 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.4/ |
H A D | pw2wannier90.f90 | 79 integer :: num_nnmax=12 variable 537 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/wannier90/wannier90-3.1.0/pwscf/v6.5/ |
H A D | pw2wannier90.f90 | 79 integer :: num_nnmax=12 variable 537 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | pw2wannier90.f90 | 79 integer :: num_nnmax=12 variable 541 ALLOCATE( kpb(iknum,num_nnmax), g_kpb(3,iknum,num_nnmax) )
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