Searched refs:n_gridpoint_dos (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | dm_ls_chebyshev.F | 110 iwindow, n_gridpoint_dos, ncheb, & local 139 n_gridpoint_dos = ls_scf_env%chebyshev%n_gridpoint_dos 347 ALLOCATE (dos(1:n_gridpoint_dos)) 348 ALLOCATE (gdensity(1:n_gridpoint_dos, 1:nwindow)) 349 ALLOCATE (chev_E(1:n_gridpoint_dos)) 350 ALLOCATE (chev_Es_dos(1:n_gridpoint_dos)) 352 DO igrid = 1, n_gridpoint_dos 353 chev_E(igrid) = min_ev + (igrid - 1)*(max_ev - min_ev)/(n_gridpoint_dos - 1) 356 DO igrid = 1, n_gridpoint_dos
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H A D | dm_ls_scf_create.F | 241 …ion_vals_val_get(chebyshev_section, "DOS%N_GRIDPOINTS", i_val=ls_scf_env%chebyshev%n_gridpoint_dos) 445 … WRITE (unit_nr, '(T2,A,T61,I20)') "N_GRIDPOINT_DOS:", ls_scf_env%chebyshev%n_gridpoint_dos
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H A D | dm_ls_scf_types.F | 80 INTEGER :: n_gridpoint_dos component
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | dm_ls_chebyshev.F | 110 iwindow, n_gridpoint_dos, ncheb, & local 139 n_gridpoint_dos = ls_scf_env%chebyshev%n_gridpoint_dos 347 ALLOCATE (dos(1:n_gridpoint_dos)) 348 ALLOCATE (gdensity(1:n_gridpoint_dos, 1:nwindow)) 349 ALLOCATE (chev_E(1:n_gridpoint_dos)) 350 ALLOCATE (chev_Es_dos(1:n_gridpoint_dos)) 352 DO igrid = 1, n_gridpoint_dos 353 chev_E(igrid) = min_ev + (igrid - 1)*(max_ev - min_ev)/(n_gridpoint_dos - 1) 356 DO igrid = 1, n_gridpoint_dos
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H A D | dm_ls_scf_create.F | 238 …ion_vals_val_get(chebyshev_section, "DOS%N_GRIDPOINTS", i_val=ls_scf_env%chebyshev%n_gridpoint_dos) 422 … WRITE (unit_nr, '(T2,A,T61,I20)') "N_GRIDPOINT_DOS:", ls_scf_env%chebyshev%n_gridpoint_dos
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H A D | dm_ls_scf_types.F | 80 INTEGER :: n_gridpoint_dos component
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