TABLE OF CONTENTS
ABINIT/defs_suscep [ Modules ]
NAME
defs_suscep
FUNCTION
This module contains definitions for the ACFD routines in the 07suscep directory and for the routines who call the ACFD routines, especially when optional arguments are defined.
COPYRIGHT
Copyright (C) 2004-2018 ABINIT group (YP) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt .
TODO
SOURCE
21 #if defined HAVE_CONFIG_H 22 #include "config.h" 23 #endif 24 25 module defs_suscep 26 27 use defs_basis 28 29 implicit none 30 ! 31 ! Preassigned meshes, mainly for test purposes 32 ! 33 34 ! Preassigned frequencies for He 35 real(dp),dimension(16),parameter :: freqs_pa_he = & 36 & (/ & 37 & 0.25446043828621D-01, & 38 & 0.12923440720030D+00, & 39 & 0.29707742431130D+00, & 40 & 0.50000000000000D+00, & 41 & 0.70292257568870D+00, & 42 & 0.87076559279970D+00, & 43 & 0.97455395617138D+00, & 44 & 0.10161774228811D+01, & 45 & 0.10893061626347D+01, & 46 & 0.12396401470009D+01, & 47 & 0.15102849384065D+01, & 48 & 0.20000000000000D+01, & 49 & 0.29596894298366D+01, & 50 & 0.51729234959795D+01, & 51 & 0.12197435546413D+02, & 52 & 0.62814542856848D+02 & 53 & /) 54 55 ! Preassigned weights for He 56 real(dp),dimension(16),parameter :: weights_pa_he = & 57 & (/ & 58 & 6.47424830844300e-02, & 59 & 1.39852695744640e-01, & 60 & 1.90915025252535e-01, & 61 & 2.08979591836735e-01, & 62 & 1.90915025252535e-01, & 63 & 1.39852695744640e-01, & 64 & 6.47424830844300e-02, & 65 & 4.19626394506177e-02, & 66 & 1.07177462259922e-01, & 67 & 2.00241231157897e-01, & 68 & 3.56225687373540e-01, & 69 & 6.60478710002520e-01, & 70 & 1.36804295333940e+00, & 71 & 3.48685872889034e+00, & 72 & 1.34381848942709e+01, & 73 & 1.60340827693244e+02 & 74 & /) 75 76 ! Preassigned frequencies for He, good up to 8 Ha 77 real(dp),dimension(20),parameter :: freqs_pa_he_8ha = & 78 & (/ & 79 & 3.2616839353535D-02, & 80 & 1.6867079163877D-01, & 81 & 4.0073803962622D-01, & 82 & 7.0825575733844D-01, & 83 & 1.0639070762730D+00, & 84 & 1.4360929237270D+00, & 85 & 1.7917442426616D+00, & 86 & 2.0992619603738D+00, & 87 & 2.3313292083612D+00, & 88 & 2.4673831606465D+00, & 89 & 2.5330480079804D+00, & 90 & 2.6808740599932D+00, & 91 & 2.9772368184517D+00, & 92 & 3.4882210592266D+00, & 93 & 4.3520860640268D+00, & 94 & 5.8745732022902D+00, & 95 & 8.8244958621825D+00, & 96 & 1.5596223422737D+01, & 97 & 3.7054429752041D+01, & 98 & 1.9161881175107D+02 & 99 & /) 100 101 ! Preassigned weights for He, good up to 8 Ha 102 real(dp),dimension(20),parameter :: weights_pa_he_8ha = & 103 & (/ & 104 & 8.3339180385855D-02, & 105 & 1.8681418643823D-01, & 106 & 2.7385795314497D-01, & 107 & 3.3658339913749D-01, & 108 & 3.6940528089344D-01, & 109 & 3.6940528089344D-01, & 110 & 3.3658339913749D-01, & 111 & 2.7385795314497D-01, & 112 & 1.8681418643823D-01, & 113 & 8.3339180385855D-02, & 114 & 8.5557098804143D-02, & 115 & 2.1482393162869D-01, & 116 & 3.8839363381970D-01, & 117 & 6.5527058667334D-01, & 118 & 1.1194843651077D+00, & 119 & 2.0397442712039D+00, & 120 & 4.1936529031966D+00, & 121 & 1.0658209106693D+01, & 122 & 4.1040260028453D+01, & 123 & 4.8960460407439D+02 & 124 & /) 125 126 ! Preassigned frequencies for H_2 127 real(dp),dimension(18),parameter :: freqs_pa_h2 = & 128 & (/ & 129 & 0.25446043828621E-01, & 130 & 0.12923440720030E+00, & 131 & 0.29707742431130E+00, & 132 & 0.50000000000000E+00, & 133 & 0.70292257568870E+00, & 134 & 0.87076559279970E+00, & 135 & 0.97455395617138E+00, & 136 & 0.10110054728832E+01, & 137 & 0.10598482531771E+01, & 138 & 0.11559677956368E+01, & 139 & 0.13165723758669E+01, & 140 & 0.15753698412085E+01, & 141 & 0.20000000000000E+01, & 142 & 0.27380125414631E+01, & 143 & 0.41588353129728E+01, & 144 & 0.74115800054568E+01, & 145 & 0.17708925439166E+02, & 146 & 0.91863882962169E+02 & 147 & /) 148 149 ! Preassigned weights for H_2 150 real(dp),dimension(18),parameter :: weights_pa_h2 = & 151 & (/ & 152 & 6.4742483084430D-02, & 153 & 1.3985269574464D-01, & 154 & 1.9091502525254D-01, & 155 & 2.0897959183674D-01, & 156 & 1.9091502525254D-01, & 157 & 1.3985269574464D-01, & 158 & 6.4742483084430D-02, & 159 & 2.8450313764414D-02, & 160 & 7.0530853203843D-02, & 161 & 1.2446622249436D-01, & 162 & 2.0210470080423D-01, & 163 & 3.2611286320820D-01, & 164 & 5.4585017355580D-01, & 165 & 9.8508508022906D-01, & 166 & 2.0166493177745D+00, & 167 & 5.1166020539137D+00, & 168 & 1.9691381197993D+01, & 169 & 2.3489276722304D+02 & 170 & /) 171 172 ! Preassigned frequencies for Be and Be_2 173 real(dp),dimension(24),parameter :: freqs_pa_be2 = & 174 & (/ & 175 & 0.39542363203530D-02, & 176 & 0.20600400194256D-01, & 177 & 0.49605477316673D-01, & 178 & 0.89412665139915D-01, & 179 & 0.13787681224089D+00, & 180 & 0.19238542101122D+00, & 181 & 0.25000000000000D+00, & 182 & 0.30761457898878D+00, & 183 & 0.36212318775911D+00, & 184 & 0.41058733486009D+00, & 185 & 0.45039452268333D+00, & 186 & 0.47939959980574D+00, & 187 & 0.49604576367965D+00, & 188 & 0.50550273644159D+00, & 189 & 0.52992412658854D+00, & 190 & 0.57798389781839D+00, & 191 & 0.65828618793344D+00, & 192 & 0.78768492060426D+00, & 193 & 0.10000000000000D+01, & 194 & 0.13690062707315D+01, & 195 & 0.20794176564864D+01, & 196 & 0.37057900027284D+01, & 197 & 0.88544627195828D+01, & 198 & 0.45931941481085D+02 & 199 & /) 200 201 ! Preassigned weights for Be and Be_2 202 real(dp),dimension(24),parameter :: weights_pa_be2 = & 203 & (/ & 204 & 1.01210011913282D-02, & 205 & 2.30303749594320D-02, & 206 & 3.47183775549475D-02, & 207 & 4.45364951904775D-02, & 208 & 5.19540118842225D-02, & 209 & 5.65707950657250D-02, & 210 & 5.81378883077175D-02, & 211 & 5.65707950657250D-02, & 212 & 5.19540118842225D-02, & 213 & 4.45364951904775D-02, & 214 & 3.47183775549475D-02, & 215 & 2.30303749594320D-02, & 216 & 1.01210011913282D-02, & 217 & 1.42251568822072D-02, & 218 & 3.52654266019211D-02, & 219 & 6.22331112471786D-02, & 220 & 1.01052350402114D-01, & 221 & 1.63056431604097D-01, & 222 & 2.72925086777900D-01, & 223 & 4.92542540114519D-01, & 224 & 1.00832465888723D+00, & 225 & 2.55830102695685D+00, & 226 & 9.84569059899664D+00, & 227 & 1.17446383611522D+02 & 228 & /) 229 230 end module defs_suscep