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Searched refs:wannier_spreads (Results 1 – 5 of 5) sorted by relevance

/dports/science/wannier90/wannier90-3.1.0/src/
H A Dw90chk2chk.F90210 if (.not. allocated(wannier_spreads)) then
211 allocate (wannier_spreads(num_wann), stat=ierr)
214 read (chk_unit, err=128) (wannier_spreads(i), i=1, num_wann)
412 if (.not. allocated(wannier_spreads)) then
413 allocate (wannier_spreads(num_wann), stat=ierr)
417 read (chk_unit, *, err=128) wannier_spreads(i)
481 write (chk_unit) (wannier_spreads(i), i=1, num_wann)
570 write (chk_unit, '(G25.17)') wannier_spreads(i)
H A Dwannierise.F9099 wannier_spreads, omega_total, omega_tilde, optimisation, write_vdw_data, &
361 wannier_spreads = r2ave - rave2
594 wannier_spreads = r2ave - rave2
2364 atoms_species_num, wannier_spreads, u_matrix, &
2379 ws = wannier_spreads
2719 wannier_centres, write_xyz, wannier_spreads, omega_total, &
2877 wannier_spreads = r2ave - rave2
2969 wannier_spreads = r2ave - rave2
H A Dparameters.F90499 real(kind=dp), public, save, allocatable :: wannier_spreads(:) variable
2364 if (allocated(wannier_spreads)) deallocate (wannier_spreads)
2365 allocate (wannier_spreads(num_wann), stat=ierr)
2367 wannier_spreads = 0.0_dp
3643 if (allocated(wannier_spreads)) then
3644 deallocate (wannier_spreads, stat=ierr)
3812 write (chk_unit) (wannier_spreads(i), i=1, num_wann)
3951 read (chk_unit, err=128) (wannier_spreads(i), i=1, num_wann)
4038 call comms_bcast(wannier_spreads(1), num_wann)
6439 allocate (wannier_spreads(num_wann), stat=ierr)
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H A Dwannier_lib.F90423 if (present(wann_spreads_loc)) wann_spreads_loc = wannier_spreads
H A Dtransport.F901718 wannier_spreads, write_xyz, dist_cutoff
2140 wannier_spreads(tran_sorted_idx(n))*lenconfac**2
2152 wannier_spreads(tran_sorted_idx(n))*lenconfac**2