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Searched refs:n_gridpoint_dos (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddm_ls_chebyshev.F110 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
H A Ddm_ls_scf_create.F241 …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
H A Ddm_ls_scf_types.F80 INTEGER :: n_gridpoint_dos component
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddm_ls_chebyshev.F110 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
H A Ddm_ls_scf_create.F238 …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
H A Ddm_ls_scf_types.F80 INTEGER :: n_gridpoint_dos component