# Fake H crystal. # Test orthorhombic spacegroups ndtset 75 spgroup1 38 spgroupma1 192 natom1 8 spgroup2 38 spgroupma2 193 natom2 8 spgroup3 38 spgroupma3 194 natom3 8 spgroup4 39 spgroupma4 200 natom4 8 spgroup5 39 spgroupma5 201 natom5 8 spgroup6 39 spgroupma6 202 natom6 8 spgroup7 40 spgroupma7 208 natom7 8 spgroup8 40 spgroupma8 209 natom8 8 spgroup9 40 spgroupma9 210 natom9 8 spgroup10 41 spgroupma10 216 natom10 8 spgroup11 41 spgroupma11 217 natom11 8 spgroup12 41 spgroupma12 218 natom12 8 spgroup13 42 spgroupma13 223 natom13 8 spgroup14 43 spgroupma14 228 natom14 8 spgroup15 44 spgroupma15 233 natom15 8 spgroup16 44 spgroupma16 234 natom16 8 spgroup17 45 spgroupma17 239 natom17 8 spgroup18 45 spgroupma18 240 natom18 8 spgroup19 46 spgroupma19 246 natom19 8 spgroup20 46 spgroupma20 247 natom20 8 spgroup21 46 spgroupma21 248 natom21 8 spgroup22 47 spgroupma22 254 natom22 16 spgroup23 47 spgroupma23 255 natom23 16 spgroup24 47 spgroupma24 256 natom24 16 spgroup25 48 spgroupma25 262 natom25 16 spgroup26 48 spgroupma26 263 natom26 16 spgroup27 48 spgroupma27 264 natom27 16 spgroup28 49 spgroupma28 272 natom28 16 spgroup29 49 spgroupma29 273 natom29 16 spgroup30 49 spgroupma30 274 natom30 16 spgroup31 49 spgroupma31 275 natom31 16 spgroup32 49 spgroupma32 276 natom32 16 spgroup33 50 spgroupma33 284 natom33 16 spgroup34 50 spgroupma34 285 natom34 16 spgroup35 50 spgroupma35 286 natom35 16 spgroup36 50 spgroupma36 287 natom36 16 spgroup37 50 spgroupma37 288 natom37 16 spgroup38 51 spgroupma38 298 natom38 16 spgroup39 51 spgroupma39 299 natom39 16 spgroup40 51 spgroupma40 300 natom40 16 spgroup41 51 spgroupma41 301 natom41 16 spgroup42 51 spgroupma42 302 natom42 16 spgroup43 51 spgroupma43 303 natom43 16 spgroup44 51 spgroupma44 304 natom44 16 spgroup45 52 spgroupma45 314 natom45 16 spgroup46 52 spgroupma46 315 natom46 16 spgroup47 52 spgroupma47 316 natom47 16 spgroup48 52 spgroupma48 317 natom48 16 spgroup49 52 spgroupma49 318 natom49 16 spgroup50 52 spgroupma50 319 natom50 16 spgroup51 52 spgroupma51 320 natom51 16 spgroup52 53 spgroupma52 330 natom52 16 spgroup53 53 spgroupma53 331 natom53 16 spgroup54 53 spgroupma54 332 natom54 16 spgroup55 53 spgroupma55 333 natom55 16 spgroup56 53 spgroupma56 334 natom56 16 spgroup57 53 spgroupma57 335 natom57 16 spgroup58 53 spgroupma58 336 natom58 16 spgroup59 54 spgroupma59 346 natom59 16 spgroup60 54 spgroupma60 347 natom60 16 spgroup61 54 spgroupma61 348 natom61 16 spgroup62 54 spgroupma62 349 natom62 16 spgroup63 54 spgroupma63 350 natom63 16 spgroup64 54 spgroupma64 351 natom64 16 spgroup65 54 spgroupma65 352 natom65 16 spgroup66 55 spgroupma66 360 natom66 16 spgroup67 55 spgroupma67 361 natom67 16 spgroup68 55 spgroupma68 362 natom68 16 spgroup69 55 spgroupma69 363 natom69 16 spgroup70 55 spgroupma70 364 natom70 16 spgroup71 56 spgroupma71 372 natom71 16 spgroup72 56 spgroupma72 373 natom72 16 spgroup73 56 spgroupma73 374 natom73 16 spgroup74 56 spgroupma74 375 natom74 16 spgroup75 56 spgroupma75 376 natom75 16 # 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 8 9 angdeg 90 90 90 ntypat 1 znucl 1 natrd 1 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 = #%% t34.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 IV #%% Test the generation and recognition of the #%% orthorhombic space groups (part II) #%%