# Fake H crystal. # Test orthorhombic spacegroups ndtset 56 spgroup1 63 spgroupma1 459 spgroup2 63 spgroupma2 460 spgroup3 63 spgroupma3 461 spgroup4 63 spgroupma4 462 spgroup5 63 spgroupma5 463 spgroup6 63 spgroupma6 464 spgroup7 63 spgroupma7 465 spgroup8 64 spgroupma8 471 spgroup9 64 spgroupma9 472 spgroup10 64 spgroupma10 473 spgroup11 64 spgroupma11 474 spgroup12 64 spgroupma12 475 spgroup13 64 spgroupma13 476 spgroup14 64 spgroupma14 477 spgroup15 65 spgroupma15 483 spgroup16 65 spgroupma16 484 spgroup17 65 spgroupma17 485 spgroup18 65 spgroupma18 486 spgroup19 65 spgroupma19 487 spgroup20 66 spgroupma20 493 spgroup21 66 spgroupma21 494 spgroup22 66 spgroupma22 495 spgroup23 66 spgroupma23 496 spgroup24 66 spgroupma24 497 spgroup25 67 spgroupma25 503 spgroup26 67 spgroupma26 504 spgroup27 67 spgroupma27 505 spgroup28 67 spgroupma28 506 spgroup29 67 spgroupma29 507 spgroup30 68 spgroupma30 513 spgroup31 68 spgroupma31 514 spgroup32 68 spgroupma32 515 spgroup33 68 spgroupma33 516 spgroup34 68 spgroupma34 517 spgroup35 69 spgroupma35 523 spgroup36 69 spgroupma36 524 spgroup37 69 spgroupma37 525 spgroup38 70 spgroupma38 529 spgroup39 70 spgroupma39 530 spgroup40 70 spgroupma40 531 spgroup41 71 spgroupma41 535 spgroup42 71 spgroupma42 536 spgroup43 71 spgroupma43 537 spgroup44 72 spgroupma44 541 spgroup45 72 spgroupma45 542 spgroup46 72 spgroupma46 543 spgroup47 72 spgroupma47 544 spgroup48 72 spgroupma48 545 spgroup49 73 spgroupma49 550 spgroup50 73 spgroupma50 551 spgroup51 73 spgroupma51 552 spgroup52 74 spgroupma52 556 spgroup53 74 spgroupma53 557 spgroup54 74 spgroupma54 558 spgroup55 74 spgroupma55 559 spgroup56 74 spgroupma56 560 # 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 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 = #%% t23.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 #%% orthorhombic space groups (part III : spgroup 63 to 74) #%%