# Fake H crystal. # Test orthorhombic spacegroups ndtset 60 spgroup1 57 spgroupma1 386 natom1 16 spgroup2 57 spgroupma2 387 natom2 16 spgroup3 57 spgroupma3 388 natom3 16 spgroup4 57 spgroupma4 389 natom4 16 spgroup5 57 spgroupma5 390 natom5 16 spgroup6 57 spgroupma6 391 natom6 16 spgroup7 57 spgroupma7 392 natom7 16 spgroup8 58 spgroupma8 400 natom8 16 spgroup9 58 spgroupma9 401 natom9 16 spgroup10 58 spgroupma10 402 natom10 16 spgroup11 58 spgroupma11 403 natom11 16 spgroup12 58 spgroupma12 404 natom12 16 spgroup13 59 spgroupma13 412 natom13 16 spgroup14 59 spgroupma14 413 natom14 16 spgroup15 59 spgroupma15 414 natom15 16 spgroup16 59 spgroupma16 415 natom16 16 spgroup17 59 spgroupma17 416 natom17 16 spgroup18 60 spgroupma18 426 natom18 16 spgroup19 60 spgroupma19 427 natom19 16 spgroup20 60 spgroupma20 428 natom20 16 spgroup21 60 spgroupma21 429 natom21 16 spgroup22 60 spgroupma22 430 natom22 16 spgroup23 60 spgroupma23 431 natom23 16 spgroup24 60 spgroupma24 432 natom24 16 spgroup25 61 spgroupma25 438 natom25 16 spgroup26 61 spgroupma26 439 natom26 16 spgroup27 61 spgroupma27 440 natom27 16 spgroup28 62 spgroupma28 450 natom28 16 spgroup29 62 spgroupma29 451 natom29 16 spgroup30 62 spgroupma30 452 natom30 16 spgroup31 62 spgroupma31 453 natom31 16 spgroup32 62 spgroupma32 454 natom32 16 spgroup33 62 spgroupma33 455 natom33 16 spgroup34 62 spgroupma34 456 natom34 16 spgroup35 63 spgroupma35 466 natom35 16 spgroup36 63 spgroupma36 467 natom36 16 spgroup37 63 spgroupma37 468 natom37 16 spgroup38 64 spgroupma38 478 natom38 16 spgroup39 64 spgroupma39 479 natom39 16 spgroup40 64 spgroupma40 480 natom40 16 spgroup41 65 spgroupma41 488 natom41 16 spgroup42 65 spgroupma42 489 natom42 16 spgroup43 65 spgroupma43 490 natom43 16 spgroup44 66 spgroupma44 498 natom44 16 spgroup45 66 spgroupma45 499 natom45 16 spgroup46 66 spgroupma46 500 natom46 16 spgroup47 67 spgroupma47 508 natom47 16 spgroup48 67 spgroupma48 509 natom48 16 spgroup49 67 spgroupma49 510 natom49 16 spgroup50 68 spgroupma50 518 natom50 16 spgroup51 68 spgroupma51 519 natom51 16 spgroup52 68 spgroupma52 520 natom52 16 spgroup53 69 spgroupma53 526 natom53 16 spgroup54 70 spgroupma54 532 natom54 16 spgroup55 71 spgroupma55 538 natom55 16 spgroup56 72 spgroupma56 546 natom56 16 spgroup57 72 spgroupma57 547 natom57 16 spgroup58 73 spgroupma58 553 natom58 16 spgroup59 74 spgroupma59 561 natom59 16 spgroup60 74 spgroupma60 562 natom60 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 = #%% t35.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -medium #%% [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 III) #%%