# Fake H crystal. # Test tetragonal spacegroups ndtset 84 spgroup1 131 spgroupma1 437 spgroup2 131 spgroupma2 438 spgroup3 131 spgroupma3 439 spgroup4 131 spgroupma4 440 spgroup5 131 spgroupma5 441 spgroup6 131 spgroupma6 442 spgroup7 131 spgroupma7 443 spgroup8 132 spgroupma8 449 spgroup9 132 spgroupma9 450 spgroup10 132 spgroupma10 451 spgroup11 132 spgroupma11 452 spgroup12 132 spgroupma12 453 spgroup13 132 spgroupma13 454 spgroup14 132 spgroupma14 455 spgroup15 133 spgroupma15 461 spgroup16 133 spgroupma16 462 spgroup17 133 spgroupma17 463 spgroup18 133 spgroupma18 464 spgroup19 133 spgroupma19 465 spgroup20 133 spgroupma20 466 spgroup21 133 spgroupma21 467 spgroup22 134 spgroupma22 473 spgroup23 134 spgroupma23 474 spgroup24 134 spgroupma24 475 spgroup25 134 spgroupma25 476 spgroup26 134 spgroupma26 477 spgroup27 134 spgroupma27 478 spgroup28 134 spgroupma28 479 spgroup29 135 spgroupma29 485 spgroup30 135 spgroupma30 486 spgroup31 135 spgroupma31 487 spgroup32 135 spgroupma32 488 spgroup33 135 spgroupma33 489 spgroup34 135 spgroupma34 490 spgroup35 135 spgroupma35 491 spgroup36 136 spgroupma36 497 spgroup37 136 spgroupma37 498 spgroup38 136 spgroupma38 499 spgroup39 136 spgroupma39 500 spgroup40 136 spgroupma40 501 spgroup41 136 spgroupma41 502 spgroup42 136 spgroupma42 503 spgroup43 137 spgroupma43 509 spgroup44 137 spgroupma44 510 spgroup45 137 spgroupma45 511 spgroup46 137 spgroupma46 512 spgroup47 137 spgroupma47 513 spgroup48 137 spgroupma48 514 spgroup49 137 spgroupma49 515 spgroup50 138 spgroupma50 521 spgroup51 138 spgroupma51 522 spgroup52 138 spgroupma52 523 spgroup53 138 spgroupma53 524 spgroup54 138 spgroupma54 525 spgroup55 138 spgroupma55 526 spgroup56 138 spgroupma56 527 spgroup57 139 spgroupma57 533 spgroup58 139 spgroupma58 534 spgroup59 139 spgroupma59 535 spgroup60 139 spgroupma60 536 spgroup61 139 spgroupma61 537 spgroup62 139 spgroupma62 538 spgroup63 139 spgroupma63 539 spgroup64 140 spgroupma64 543 spgroup65 140 spgroupma65 544 spgroup66 140 spgroupma66 545 spgroup67 140 spgroupma67 546 spgroup68 140 spgroupma68 547 spgroup69 140 spgroupma69 548 spgroup70 140 spgroupma70 549 spgroup71 141 spgroupma71 553 spgroup72 141 spgroupma72 554 spgroup73 141 spgroupma73 555 spgroup74 141 spgroupma74 556 spgroup75 141 spgroupma75 557 spgroup76 141 spgroupma76 558 spgroup77 141 spgroupma77 559 spgroup78 142 spgroupma78 563 spgroup79 142 spgroupma79 564 spgroup80 142 spgroupma80 565 spgroup81 142 spgroupma81 566 spgroup82 142 spgroupma82 567 spgroup83 142 spgroupma83 568 spgroup84 142 spgroupma84 569 # 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 = #%% t27.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 IV : spgroup 131 to 142) #%%