xc_input_constants.F File Reference

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Modules
module	xc_input_constants
	input constants for xc

Variables
integer, parameter, public	xc_input_constants::xc_deriv_pw = 0
integer, parameter, public	xc_input_constants::xc_deriv_spline2 = 1
integer, parameter, public	xc_input_constants::xc_deriv_spline3 = 2
integer, parameter, public	xc_input_constants::xc_deriv_spline2_smooth = 3
integer, parameter, public	xc_input_constants::xc_deriv_spline3_smooth = 4
integer, parameter, public	xc_input_constants::xc_deriv_nn10_smooth = 5
integer, parameter, public	xc_input_constants::xc_deriv_nn50_smooth = 6
integer, parameter, public	xc_input_constants::xc_deriv_collocate = 7
integer, parameter, public	xc_input_constants::xc_rho_no_smooth = 0
integer, parameter, public	xc_input_constants::xc_rho_spline2_smooth = 1
integer, parameter, public	xc_input_constants::xc_rho_spline3_smooth = 2
integer, parameter, public	xc_input_constants::xc_rho_nn10 = 3
integer, parameter, public	xc_input_constants::xc_rho_nn50 = 4
integer, parameter, public	xc_input_constants::skala_gapw_direct_valence = 1
integer, parameter, public	xc_input_constants::skala_gapw_paw_one_center = 2
integer, parameter, public	xc_input_constants::skala_gapw_cp2k_default = 3
integer, parameter, public	xc_input_constants::skala_gapw_paw_one_center_split = 4
integer, parameter, public	xc_input_constants::skala_gapw_common_grid = 1
integer, parameter, public	xc_input_constants::skala_gapw_atom_composite_grid = 2
integer, parameter, public	xc_input_constants::do_vwn5 = 1
integer, parameter, public	xc_input_constants::do_vwn3 = 2
integer, parameter, public	xc_input_constants::xc_pbe_orig = 11
integer, parameter, public	xc_input_constants::xc_pbe_rev = 12
integer, parameter, public	xc_input_constants::xc_pbe_sol = 13
integer, parameter, public	xc_input_constants::xgga_b88 = 101
integer, parameter, public	xc_input_constants::xgga_b88x = 102
integer, parameter, public	xc_input_constants::xgga_pw86 = 103
integer, parameter, public	xc_input_constants::xgga_pw91 = 104
integer, parameter, public	xc_input_constants::xgga_pbex = 105
integer, parameter, public	xc_input_constants::xgga_revpbe = 106
integer, parameter, public	xc_input_constants::xgga_optx = 107
integer, parameter, public	xc_input_constants::xgga_hcth = 108
integer, parameter, public	xc_input_constants::xgga_tpss = 109
integer, parameter, public	xc_input_constants::xalpha = 110
integer, parameter, public	xc_input_constants::xgga_pbe = 111
integer, parameter, public	xc_input_constants::xgga_opt = 112
integer, parameter, public	xc_input_constants::xgga_ev93 = 113
integer, parameter, public	xc_input_constants::cgga_lyp = 201
integer, parameter, public	xc_input_constants::c_pade = 202
integer, parameter, public	xc_input_constants::cgga_hcth93 = 203
integer, parameter, public	xc_input_constants::cgga_hcth120 = 204
integer, parameter, public	xc_input_constants::cgga_hcth147 = 205
integer, parameter, public	xc_input_constants::cgga_hcth407 = 206
integer, parameter, public	xc_input_constants::cgga_cs1 = 207
integer, parameter, public	xc_input_constants::cgga_pw86 = 208
integer, parameter, public	xc_input_constants::c_pw92 = 209
integer, parameter, public	xc_input_constants::c_pw92dmc = 210
integer, parameter, public	xc_input_constants::c_pw92vmc = 211
integer, parameter, public	xc_input_constants::c_pz = 212
integer, parameter, public	xc_input_constants::c_pzdmc = 213
integer, parameter, public	xc_input_constants::c_pzvmc = 214
integer, parameter, public	xc_input_constants::c_vwn = 215
integer, parameter, public	xc_input_constants::cgga_pbe = 216
integer, parameter, public	xc_input_constants::ke_ol1 = 301
integer, parameter, public	xc_input_constants::ke_ol2 = 302
integer, parameter, public	xc_input_constants::ke_llp = 303
integer, parameter, public	xc_input_constants::ke_pw86 = 304
integer, parameter, public	xc_input_constants::ke_pw91 = 305
integer, parameter, public	xc_input_constants::ke_lc = 306
integer, parameter, public	xc_input_constants::ke_t92 = 307
integer, parameter, public	xc_input_constants::ke_pbe = 308
integer, parameter, public	xc_input_constants::ke_revpbe = 309
integer, parameter, public	xc_input_constants::ke_tf = 310
integer, parameter, public	xc_input_constants::ke_tfw = 311
integer, parameter, public	xc_input_constants::pw_orig = 209
integer, parameter, public	xc_input_constants::pw_dmc = 210
integer, parameter, public	xc_input_constants::pw_vmc = 211
integer, parameter, public	xc_input_constants::pz_orig = 212
integer, parameter, public	xc_input_constants::pz_dmc = 213
integer, parameter, public	xc_input_constants::pz_vmc = 214
integer, parameter, public	xc_input_constants::xc_b97_orig = 401
integer, parameter, public	xc_input_constants::xc_b97_grimme = 402
integer, parameter, public	xc_input_constants::xc_b97_mardirossian = 403
integer, parameter, public	xc_input_constants::xc_b97_3c = 404