# Fake H crystal. # Test triclinic and monoclinic spacegroups ndtset 42 angdeg1 70 80 85 ! triclinic angdeg2 70 80 85 ! triclinic angdeg 90 80 90 ! the others are monoclinic spgroup1 1 spgroupma1 3 natom1 2 spgroup2 2 spgroupma2 7 natom2 4 spgroup3 3 spgroupma3 4 natom3 4 spgroup4 3 spgroupma4 5 natom4 4 spgroup5 3 spgroupma5 6 natom5 4 spgroup6 4 spgroupma6 10 natom6 4 spgroup7 4 spgroupma7 11 natom7 4 spgroup8 4 spgroupma8 12 natom8 4 spgroup9 5 spgroupma9 16 natom9 4 spgroup10 5 spgroupma10 17 natom10 4 spgroup11 6 spgroupma11 21 natom11 4 spgroup12 6 spgroupma12 22 natom12 4 spgroup13 6 spgroupma13 23 natom13 4 spgroup14 7 spgroupma14 27 natom14 4 spgroup15 7 spgroupma15 28 natom15 4 spgroup16 7 spgroupma16 29 natom16 4 spgroup17 7 spgroupma17 30 natom17 4 spgroup18 7 spgroupma18 31 natom18 4 spgroup19 8 spgroupma19 35 natom19 4 spgroup20 8 spgroupma20 36 natom20 4 spgroup21 9 spgroupma21 40 natom21 4 spgroup22 9 spgroupma22 41 natom22 4 spgroup23 10 spgroupma23 47 natom23 8 spgroup24 10 spgroupma24 48 natom24 8 spgroup25 10 spgroupma25 49 natom25 8 spgroup26 11 spgroupma26 55 natom26 8 spgroup27 11 spgroupma27 56 natom27 8 spgroup28 11 spgroupma28 57 natom28 8 spgroup29 12 spgroupma29 63 natom29 8 spgroup30 12 spgroupma30 64 natom30 8 spgroup31 13 spgroupma31 70 natom31 8 spgroup32 13 spgroupma32 71 natom32 8 spgroup33 13 spgroupma33 72 natom33 8 spgroup34 13 spgroupma34 73 natom34 8 spgroup35 13 spgroupma35 74 natom35 8 spgroup36 14 spgroupma36 80 natom36 8 spgroup37 14 spgroupma37 81 natom37 8 spgroup38 14 spgroupma38 82 natom38 8 spgroup39 14 spgroupma39 83 natom39 8 spgroup40 14 spgroupma40 84 natom40 8 spgroup41 15 spgroupma41 90 natom41 8 spgroup42 15 spgroupma42 91 natom42 8 # 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 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 = #%% t32.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 #%% triclinic and monoclinic space groups #%%