# Fake H crystal. # Test tetragonal spacegroups ndtset 56 spgroup1 123 spgroupma1 341 spgroup2 123 spgroupma2 342 spgroup3 123 spgroupma3 343 spgroup4 123 spgroupma4 344 spgroup5 123 spgroupma5 345 spgroup6 123 spgroupma6 346 spgroup7 123 spgroupma7 347 spgroup8 124 spgroupma8 353 spgroup9 124 spgroupma9 354 spgroup10 124 spgroupma10 355 spgroup11 124 spgroupma11 356 spgroup12 124 spgroupma12 357 spgroup13 124 spgroupma13 358 spgroup14 124 spgroupma14 359 spgroup15 125 spgroupma15 365 spgroup16 125 spgroupma16 366 spgroup17 125 spgroupma17 367 spgroup18 125 spgroupma18 368 spgroup19 125 spgroupma19 369 spgroup20 125 spgroupma20 370 spgroup21 125 spgroupma21 371 spgroup22 126 spgroupma22 377 spgroup23 126 spgroupma23 378 spgroup24 126 spgroupma24 379 spgroup25 126 spgroupma25 380 spgroup26 126 spgroupma26 381 spgroup27 126 spgroupma27 382 spgroup28 126 spgroupma28 383 spgroup29 127 spgroupma29 389 spgroup30 127 spgroupma30 390 spgroup31 127 spgroupma31 391 spgroup32 127 spgroupma32 392 spgroup33 127 spgroupma33 393 spgroup34 127 spgroupma34 394 spgroup35 127 spgroupma35 395 spgroup36 128 spgroupma36 401 spgroup37 128 spgroupma37 402 spgroup38 128 spgroupma38 403 spgroup39 128 spgroupma39 404 spgroup40 128 spgroupma40 405 spgroup41 128 spgroupma41 406 spgroup42 128 spgroupma42 407 spgroup43 129 spgroupma43 413 spgroup44 129 spgroupma44 414 spgroup45 129 spgroupma45 415 spgroup46 129 spgroupma46 416 spgroup47 129 spgroupma47 417 spgroup48 129 spgroupma48 418 spgroup49 129 spgroupma49 419 spgroup50 130 spgroupma50 425 spgroup51 130 spgroupma51 426 spgroup52 130 spgroupma52 427 spgroup53 130 spgroupma53 428 spgroup54 130 spgroupma54 429 spgroup55 130 spgroupma55 430 spgroup56 130 spgroupma56 431 # 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 16 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 = #%% t26.abo, 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 III : spgroup 123 to 130) #%%