# Fake H crystal. # Test tetragonal spacegroups ndtset 72 spgroup1 99 spgroupma1 165 spgroup2 99 spgroupma2 166 spgroup3 99 spgroupma3 167 spgroup4 100 spgroupma4 173 spgroup5 100 spgroupma5 174 spgroup6 100 spgroupma6 175 spgroup7 101 spgroupma7 181 spgroup8 101 spgroupma8 182 spgroup9 101 spgroupma9 183 spgroup10 102 spgroupma10 189 spgroup11 102 spgroupma11 190 spgroup12 102 spgroupma12 191 spgroup13 103 spgroupma13 197 spgroup14 103 spgroupma14 198 spgroup15 103 spgroupma15 199 spgroup16 104 spgroupma16 205 spgroup17 104 spgroupma17 206 spgroup18 104 spgroupma18 207 spgroup19 105 spgroupma19 213 spgroup20 105 spgroupma20 214 spgroup21 105 spgroupma21 215 spgroup22 106 spgroupma22 221 spgroup23 106 spgroupma23 222 spgroup24 106 spgroupma24 223 spgroup25 107 spgroupma25 229 spgroup26 107 spgroupma26 230 spgroup27 107 spgroupma27 231 spgroup28 108 spgroupma28 235 spgroup29 108 spgroupma29 236 spgroup30 108 spgroupma30 237 spgroup31 109 spgroupma31 241 spgroup32 109 spgroupma32 242 spgroup33 109 spgroupma33 243 spgroup34 110 spgroupma34 247 spgroup35 110 spgroupma35 248 spgroup36 110 spgroupma36 249 spgroup37 111 spgroupma37 253 spgroup38 111 spgroupma38 254 spgroup39 111 spgroupma39 255 spgroup40 112 spgroupma40 261 spgroup41 112 spgroupma41 262 spgroup42 112 spgroupma42 263 spgroup43 113 spgroupma43 269 spgroup44 113 spgroupma44 270 spgroup45 113 spgroupma45 271 spgroup46 114 spgroupma46 277 spgroup47 114 spgroupma47 278 spgroup48 114 spgroupma48 279 spgroup49 115 spgroupma49 285 spgroup50 115 spgroupma50 286 spgroup51 115 spgroupma51 287 spgroup52 116 spgroupma52 293 spgroup53 116 spgroupma53 294 spgroup54 116 spgroupma54 295 spgroup55 117 spgroupma55 301 spgroup56 117 spgroupma56 302 spgroup57 117 spgroupma57 303 spgroup58 118 spgroupma58 309 spgroup59 118 spgroupma59 310 spgroup60 118 spgroupma60 311 spgroup61 119 spgroupma61 317 spgroup62 119 spgroupma62 318 spgroup63 119 spgroupma63 319 spgroup64 120 spgroupma64 323 spgroup65 120 spgroupma65 324 spgroup66 120 spgroupma66 325 spgroup67 121 spgroupma67 329 spgroup68 121 spgroupma68 330 spgroup69 121 spgroupma69 331 spgroup70 122 spgroupma70 335 spgroup71 122 spgroupma71 336 spgroup72 122 spgroupma72 337 # Common data prtvol -1 # stop in abinit (main program), before call driver. brvltt -1 # important to reduce the conventional cell to primitive, # and allow the recognition of space group acell 7 7 9 angdeg 90 90 90 ntypat 1 znucl 1 natrd 1 natom 8 xred 0.17 0.15 0.11 spinat 0.0 0.0 1.0 typat 1 ecut 1 kptopt 0 nkpt 1 nline 1 nstep 1 toldfe 1.0d-6 pp_dirpath "$ABI_PSPDIR" pseudos "01h.bare" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t25.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% H based fake crystals : magnetic groups, Shubnikov type III #%% Test the generation and recognition of the #%% tetragonal space groups (part II : spgroup 99 to 122) #%%