# Fake H crystal. # Test tetragonal spacegroups ndtset 80 spgroup1 111 spgroupma1 256 natom1 16 spgroup2 111 spgroupma2 257 natom2 16 spgroup3 111 spgroupma3 258 natom3 16 spgroup4 112 spgroupma4 264 natom4 16 spgroup5 112 spgroupma5 265 natom5 16 spgroup6 112 spgroupma6 266 natom6 16 spgroup7 113 spgroupma7 272 natom7 16 spgroup8 113 spgroupma8 273 natom8 16 spgroup9 113 spgroupma9 274 natom9 16 spgroup10 114 spgroupma10 280 natom10 16 spgroup11 114 spgroupma11 281 natom11 16 spgroup12 114 spgroupma12 282 natom12 16 spgroup13 115 spgroupma13 288 natom13 16 spgroup14 115 spgroupma14 289 natom14 16 spgroup15 115 spgroupma15 290 natom15 16 spgroup16 116 spgroupma16 296 natom16 16 spgroup17 116 spgroupma17 297 natom17 16 spgroup18 116 spgroupma18 298 natom18 16 spgroup19 117 spgroupma19 304 natom19 16 spgroup20 117 spgroupma20 305 natom20 16 spgroup21 117 spgroupma21 306 natom21 16 spgroup22 118 spgroupma22 312 natom22 16 spgroup23 118 spgroupma23 313 natom23 16 spgroup24 118 spgroupma24 314 natom24 16 spgroup25 119 spgroupma25 320 natom25 16 spgroup26 120 spgroupma26 326 natom26 16 spgroup27 121 spgroupma27 332 natom27 16 spgroup28 122 spgroupma28 338 natom28 16 spgroup29 123 spgroupma29 348 natom29 32 spgroup30 123 spgroupma30 349 natom30 32 spgroup31 123 spgroupma31 350 natom31 32 spgroup32 124 spgroupma32 360 natom32 32 spgroup33 124 spgroupma33 361 natom33 32 spgroup34 124 spgroupma34 362 natom34 32 spgroup35 125 spgroupma35 372 natom35 32 spgroup36 125 spgroupma36 373 natom36 32 spgroup37 125 spgroupma37 374 natom37 32 spgroup38 126 spgroupma38 384 natom38 32 spgroup39 126 spgroupma39 385 natom39 32 spgroup40 126 spgroupma40 386 natom40 32 spgroup41 127 spgroupma41 396 natom41 32 spgroup42 127 spgroupma42 397 natom42 32 spgroup43 127 spgroupma43 398 natom43 32 spgroup44 128 spgroupma44 408 natom44 32 spgroup45 128 spgroupma45 409 natom45 32 spgroup46 128 spgroupma46 410 natom46 32 spgroup47 129 spgroupma47 420 natom47 32 spgroup48 129 spgroupma48 421 natom48 32 spgroup49 129 spgroupma49 422 natom49 32 spgroup50 130 spgroupma50 432 natom50 32 spgroup51 130 spgroupma51 433 natom51 32 spgroup52 130 spgroupma52 434 natom52 32 spgroup53 131 spgroupma53 444 natom53 32 spgroup54 131 spgroupma54 445 natom54 32 spgroup55 131 spgroupma55 446 natom55 32 spgroup56 132 spgroupma56 456 natom56 32 spgroup57 132 spgroupma57 457 natom57 32 spgroup58 132 spgroupma58 458 natom58 32 spgroup59 133 spgroupma59 468 natom59 32 spgroup60 133 spgroupma60 469 natom60 32 spgroup61 133 spgroupma61 470 natom61 32 spgroup62 134 spgroupma62 480 natom62 32 spgroup63 134 spgroupma63 481 natom63 32 spgroup64 134 spgroupma64 482 natom64 32 spgroup65 135 spgroupma65 492 natom65 32 spgroup66 135 spgroupma66 493 natom66 32 spgroup67 135 spgroupma67 494 natom67 32 spgroup68 136 spgroupma68 504 natom68 32 spgroup69 136 spgroupma69 505 natom69 32 spgroup70 136 spgroupma70 506 natom70 32 spgroup71 137 spgroupma71 516 natom71 32 spgroup72 137 spgroupma72 517 natom72 32 spgroup73 137 spgroupma73 518 natom73 32 spgroup74 138 spgroupma74 528 natom74 32 spgroup75 138 spgroupma75 529 natom75 32 spgroup76 138 spgroupma76 530 natom76 32 spgroup77 139 spgroupma77 540 natom77 32 spgroup78 140 spgroupma78 550 natom78 32 spgroup79 141 spgroupma79 560 natom79 32 spgroup80 142 spgroupma80 570 natom80 32 # 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 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 = #%% t37.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 tetragonal space groups (part II) #%%