# Fake H crystal. # Test orthorhombic spacegroups ndtset 88 spgroup1 47 spgroupma1 251 spgroup2 47 spgroupma2 252 spgroup3 47 spgroupma3 253 spgroup4 48 spgroupma4 259 spgroup5 48 spgroupma5 260 spgroup6 48 spgroupma6 261 spgroup7 49 spgroupma7 267 spgroup8 49 spgroupma8 268 spgroup9 49 spgroupma9 269 spgroup10 49 spgroupma10 270 spgroup11 49 spgroupma11 271 spgroup12 50 spgroupma12 279 spgroup13 50 spgroupma13 280 spgroup14 50 spgroupma14 281 spgroup15 50 spgroupma15 282 spgroup16 50 spgroupma16 283 spgroup17 51 spgroupma17 291 spgroup18 51 spgroupma18 292 spgroup19 51 spgroupma19 293 spgroup20 51 spgroupma20 294 spgroup21 51 spgroupma21 295 spgroup22 51 spgroupma22 296 spgroup23 51 spgroupma23 297 spgroup24 52 spgroupma24 307 spgroup25 52 spgroupma25 308 spgroup26 52 spgroupma26 309 spgroup27 52 spgroupma27 310 spgroup28 52 spgroupma28 311 spgroup29 52 spgroupma29 312 spgroup30 52 spgroupma30 313 spgroup31 53 spgroupma31 323 spgroup32 53 spgroupma32 324 spgroup33 53 spgroupma33 325 spgroup34 53 spgroupma34 326 spgroup35 53 spgroupma35 327 spgroup36 53 spgroupma36 328 spgroup37 53 spgroupma37 329 spgroup38 54 spgroupma38 339 spgroup39 54 spgroupma39 340 spgroup40 54 spgroupma40 341 spgroup41 54 spgroupma41 342 spgroup42 54 spgroupma42 343 spgroup43 54 spgroupma43 344 spgroup44 54 spgroupma44 345 spgroup45 55 spgroupma45 355 spgroup46 55 spgroupma46 356 spgroup47 55 spgroupma47 357 spgroup48 55 spgroupma48 358 spgroup49 55 spgroupma49 359 spgroup50 56 spgroupma50 367 spgroup51 56 spgroupma51 368 spgroup52 56 spgroupma52 369 spgroup53 56 spgroupma53 370 spgroup54 56 spgroupma54 371 spgroup55 57 spgroupma55 379 spgroup56 57 spgroupma56 380 spgroup57 57 spgroupma57 381 spgroup58 57 spgroupma58 382 spgroup59 57 spgroupma59 383 spgroup60 57 spgroupma60 384 spgroup61 57 spgroupma61 385 spgroup62 58 spgroupma62 395 spgroup63 58 spgroupma63 396 spgroup64 58 spgroupma64 397 spgroup65 58 spgroupma65 398 spgroup66 58 spgroupma66 399 spgroup67 59 spgroupma67 407 spgroup68 59 spgroupma68 408 spgroup69 59 spgroupma69 409 spgroup70 59 spgroupma70 410 spgroup71 59 spgroupma71 411 spgroup72 60 spgroupma72 419 spgroup73 60 spgroupma73 420 spgroup74 60 spgroupma74 421 spgroup75 60 spgroupma75 422 spgroup76 60 spgroupma76 423 spgroup77 60 spgroupma77 424 spgroup78 60 spgroupma78 425 spgroup79 61 spgroupma79 435 spgroup80 61 spgroupma80 436 spgroup81 61 spgroupma81 437 spgroup82 62 spgroupma82 443 spgroup83 62 spgroupma83 444 spgroup84 62 spgroupma84 445 spgroup85 62 spgroupma85 446 spgroup86 62 spgroupma86 447 spgroup87 62 spgroupma87 448 spgroup88 62 spgroupma88 449 # 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 natom 8 ntypat 1 znucl 1 natrd 1 xred 0.17 0.15 0.11 spinat 0.0 0.0 1.0 typat 1 ecut 1 nkpt 1 nline 1 kptopt 0 nstep 1 toldfe 1.0d-6 pp_dirpath "$ABI_PSPDIR" pseudos "01h.bare" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t22.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 #%% orthorhombic space groups (part II : spgroup 47 to 62) #%%