Searched refs:smear_fermi_dirac (Results 1 – 12 of 12) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_mo_occupation.F | 19 smear_fermi_dirac,& 460 CASE (smear_fermi_dirac)
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H A D | scf_control_types.F | 28 outer_scf_s2_constraint, smear_energy_window, smear_fermi_dirac, smear_list 650 CASE (smear_fermi_dirac)
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H A D | input_constants.F | 813 smear_fermi_dirac = 2, & variable
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H A D | kpoint_methods.F | 52 USE input_constants, ONLY: smear_fermi_dirac 838 CASE (smear_fermi_dirac)
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H A D | almo_scf.F | 68 smear_fermi_dirac, virt_full, virt_number, virt_occ_size, xalmo_case_block_diag, & 231 IF (qs_env%scf_control%smear%method .NE. smear_fermi_dirac) THEN
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H A D | input_cp2k_dft.F | 89 smear_energy_window, smear_fermi_dirac, smear_list, sparse_guess, tddfpt_davidson, & 8488 enum_i_vals=(/smear_fermi_dirac, smear_energy_window, smear_list/), &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | scf_control_types.F | 28 outer_scf_s2_constraint, smear_energy_window, smear_fermi_dirac, smear_list 650 CASE (smear_fermi_dirac)
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H A D | qs_mo_occupation.F | 19 smear_fermi_dirac,& 559 CASE (smear_fermi_dirac)
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H A D | input_constants.F | 821 smear_fermi_dirac = 2, & variable
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H A D | kpoint_methods.F | 52 USE input_constants, ONLY: smear_fermi_dirac 838 CASE (smear_fermi_dirac)
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H A D | almo_scf.F | 73 optimizer_trustr, restart_guess, smear_fermi_dirac, virt_full, virt_number, virt_occ_size, & 242 IF (qs_env%scf_control%smear%method .NE. smear_fermi_dirac) THEN
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H A D | input_cp2k_dft.F | 90 smear_energy_window, smear_fermi_dirac, smear_list, sparse_guess, tddfpt_davidson, & 8591 enum_i_vals=(/smear_fermi_dirac, smear_energy_window, smear_list/), &
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