Searched defs:plot_wannier (Results 1 – 4 of 4) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | wannier_plot.f90 | 92 SUBROUTINE plot_wannier(nc,n0) subroutine 115 INTEGER, INTENT(in) :: nc(3), n0(3) 116 INTEGER :: npw, is, i,j, k, ik, n, ir, ios, n1, n2, n3,i1,j1,k1 117 COMPLEX(DP) :: phase 118 …OMPLEX(DP), ALLOCATABLE :: wan_func(:,:), pp_ort(:,:), psic(:), psic3(:,:,:), psic3_0(:,:,:), psic… 119 real(DP), ALLOCATABLE :: rho(:,:,:,:), raux(:) 120 real(DP) :: r(3) 200 100 CALL errore ('plot_wannier', 'Opening out file', abs (ios) ) argument
|
/dports/science/wannier90/wannier90-3.1.0/src/ |
H A D | plot.F90 | 922 subroutine plot_wannier subroutine 942 real(kind=dp) :: scalfac, tmax, tmaxx, x_0ang, y_0ang, z_0ang 943 real(kind=dp) :: fxcry(3), dirl(3, 3), w_real, w_imag, ratmax, ratio 944 real(kind=dp) :: upspinor, dnspinor, upphase, dnphase 945 complex(kind=dp), allocatable :: wann_func(:, :, :, :) 946 complex(kind=dp), allocatable :: r_wvfn(:, :) 947 complex(kind=dp), allocatable :: r_wvfn_tmp(:, :) 971 if (.not. have_file) call io_error('plot_wannier: file '//wfnname//' not found') argument 989 if (ierr /= 0) call io_error('Error in allocating wann_func in plot_wannier') argument 1256 subroutine internal_cube_format() [all …]
|
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | wannier_new.f90 | 23 plot_wannier, &! if .TRUE. wannier number plot_wan_num is plotted variable
|
H A D | input_parameters.f90 | 1382 plot_wannier = .false.,& variable 1395 NAMELIST / wannier_ac / plot_wannier, use_energy_int, nwan, & local
|