| /dports/science/siesta/siesta-4.1.5/Util/TS/TBtrans/ |
| H A D | m_tbt_dH.F90 | 80 subroutine init_dH_options( no_u ) argument
83 integer, intent(in) :: no_u local
101 subroutine check_consecutive( no_u ) argument
112 integer, intent(in) :: no_u local
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| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | m_hsx.F | 11 subroutine write_hsx( no_u, no_s, nspin, indxuo, maxnh, argument
351 subroutine write_hs_formatted(no_u, nspin, argument
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| H A D | setup_ordern_indexes.F90 | 8 subroutine setup_ordern_indexes(no_l,no_u,Nodes) argument
22 integer, intent(in) :: no_l, no_u local
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| H A D | m_ts_elec_se.F90 | 143 subroutine UC_expansion_Sigma_Bulk(no_u,no_s,El,nq,& argument
149 integer, intent(in) :: no_u, no_s local
207 subroutine UC_expansion_Sigma(ZEnergy,no_u,no_s,El,nq, & argument
214 integer, intent(in) :: no_u, no_s local
280 subroutine UC_expansion_Sigma_GammaT(ZEnergy,no_u,no_s,El,nq, & argument
287 integer, intent(in) :: no_u, no_s local
445 subroutine update_UC_expansion(ZEnergy,no_u,no_s,El,nq,& argument
452 integer, intent(in) :: no_u, no_s local
587 subroutine update_UC_expansion_A(no_u,no_s,El,nq, & argument
593 integer, intent(in) :: no_u, no_s local
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| H A D | ts_init.F90 | 19 subroutine ts_init(nspin, ucell, na_u, xa, lasto, no_u, inicoor, fincoor ) argument
61 integer, intent(in) :: no_u local
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| H A D | initparallel.F | 8 subroutine initparallel( no_u, na_u, lasto, xa, argument
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| H A D | moments.F | 8 subroutine moments(iopt, natoms, no_u, maxnh, numh, argument
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| H A D | m_writedelk.F | 11 subroutine write_delk( gamma, no_u, no_s, nspin, indxuo, maxnh, argument
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| H A D | ordern.F | 21 subroutine ordern(usesavelwf,ioptlwf,natoms,no_u,no_l, argument
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| H A D | gradient.F | 11 subroutine gradient(c,eta,qs,h,s,no_u,no_l,nbands,ncmax, argument
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| H A D | denmat.F | 11 subroutine denmat(c,eta,h,s,qs,no_u,no_l,nbands,ncmax, argument
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| H A D | ener3.F | 11 subroutine ener3(c,grad,lam,eta,qs,h,s,no_u,no_l,nbands, argument
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| H A D | m_iodm.F90 | 55 integer :: iu, five(5), no_u, nspin, ierr local
156 integer :: no_u, nspin local
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| H A D | m_ts_full_scat.F90 | 316 subroutine calc_GF_Part(cE,no_u, no_u_TS, no_col, N_Elec, Elecs, & ! Size of the problem argument
330 integer, intent(in) :: no_u, no_u_TS, no_col local
388 subroutine insert_Self_Energies(no_u, Gfinv, El) argument
390 integer, intent(in) :: no_u local
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| H A D | m_ts_iodm.F90 | 53 integer :: iu, five(5), no_u, nspin, ierr local
173 integer :: no_u, nspin local
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| H A D | m_ts_io.F90 | 19 subroutine ts_read_TSHS_opt(TSHS,DUMMY,na_u,no_u,no_s,nspin,n_nzs, & argument
38 integer, intent(out), optional :: na_u, no_u, no_s, nspin, n_nzs, lasto(:), kscell(3,3), nsc(3) local
382 subroutine ts_read_TSHS_opt_nc(TSHS,na_u,no_u,no_s,nspin,n_nzs, & argument
399 integer, intent(out), optional :: na_u, no_u, no_s, nspin, n_nzs, lasto(:), kscell(3,3), nsc(3) local
617 ucell, nsc, na_u, no_u, nspin, & argument
692 integer, intent(out) :: nsc(3), na_u, no_u, nspin local
1022 ucell, nsc, na_u, no_u, nspin, & argument
1050 integer, intent(out) :: nsc(3), na_u, no_u, nspin local
1265 integer :: iu, no_l, no_u, n_nzs local
1444 integer :: na_u, no_u, no_s, nspin, n_nzs, err local
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| H A D | write_orb_indx.f90 | 8 subroutine write_orb_indx( na_u, na_s, no_u, no_s, isa, xa, & argument
32 integer, intent(in):: no_u ! Total number of orbitals in unit cell local
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| H A D | m_hs_matrix.f90 | 175 subroutine set_HS_matrix_1d(Gamma,ucell,na_u,no_u,no_s,maxnh, & argument
192 integer, intent(in) :: no_u ! Unit cell orbitals local
442 subroutine set_HS_matrix_2d(Gamma,ucell,na_u,no_u,no_s,maxnh, & argument
459 integer, intent(in) :: no_u ! Unit cell orbitals local
709 subroutine set_HS_transfermatrix_1d(Gamma,ucell,na_u,no_u,no_s,maxnh, & argument
725 integer, intent(in) :: no_u ! Unit cell orbitals local
894 subroutine set_HS_transfermatrix_2d(Gamma,ucell,na_u,no_u,no_s,maxnh, & argument
910 integer, intent(in) :: no_u ! Unit cell orbitals local
1076 subroutine set_HS_available_transfers(ucell,na_u,xa,lasto,no_u,maxnh, & argument
1088 integer, intent(in) :: no_u ! Unit cell orbitals local
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| H A D | m_sparsity_handling.F90 | 69 integer :: no_l, no_u, n_nzs local
144 integer, intent(in) :: orb, na_u, lasto(0:na_u), no_u local
172 integer :: no_l, no_u, n_nzs local
300 integer :: no1, no2, no_u local
421 integer :: no_l, no_u, n_nzs local
525 integer :: no_u local
560 integer :: no_l, no_u, n_nzs local
688 integer :: lio, io, no_l, no_u, n_nzs, n_nzsg, Bn, ind, lind local
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| H A D | cgwf.F | 11 subroutine cgwf(iscf,itmax,ftol,eta,qs,no_u,no_l,nbands, argument
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| H A D | m_ts_tri_common.F90 | 196 subroutine ts_pivot_tri_sort_el(no_u, pvt, N_Elec, Elecs, tri) argument
202 integer, intent(in) :: no_u local
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| /dports/science/siesta/siesta-4.1.5/Util/COOP/ |
| H A D | read_curves.f90 | 17 mpr_u,no_u,ncbmx,ncb,tit,orb_mask,dtc) argument
24 integer, intent(in) :: mpr_u, no_u, ncbmx local
101 integer i, ic, norbs, no_u local
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| /dports/science/siesta/siesta-4.1.5/Util/HSX/ |
| H A D | iohs.F | 8 subroutine iohs( task, gamma, no_u, no_s, nspin, indxuo, maxnh, argument
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| H A D | hsx_m.f90 | 66 integer :: no_u component
107 integer numx, ind, no_u, nnz, na_u, nspecies, nspin, nh, i local
242 integer :: no_u, nnz, na_u, nspecies, nspin, nh, i local
355 integer numx, ind, no_u, nnz, na_u, nspecies, nspin, nh, i local
497 subroutine write_hs_old( filename, gamma, no_u, no_s, nspin, indxuo, & argument
539 integer, intent(in) :: maxnh, no_u, no_s, nspin local
644 integer im, is, iu, ju, k, ns, ia, io, no_u local
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| /dports/science/siesta/siesta-4.1.5/Util/TS/tshs2tshs/ |
| H A D | m_ts_io_version.f90 | 20 ucell, na_u, no_l, no_u, no_s, maxnh, nspin, & argument
37 integer, intent(in) :: na_u, no_l, no_u, no_s, maxnh, nspin local
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