Searched refs:wannier_spreads (Results 1 – 5 of 5) sorted by relevance
/dports/science/wannier90/wannier90-3.1.0/src/ |
H A D | w90chk2chk.F90 | 210 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)
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H A D | wannierise.F90 | 99 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
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H A D | parameters.F90 | 499 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) [all …]
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H A D | wannier_lib.F90 | 423 if (present(wann_spreads_loc)) wann_spreads_loc = wannier_spreads
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H A D | transport.F90 | 1718 wannier_spreads, write_xyz, dist_cutoff 2140 wannier_spreads(tran_sorted_idx(n))*lenconfac**2 2152 wannier_spreads(tran_sorted_idx(n))*lenconfac**2
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