# Fake H crystal. # Test orthorhombic spacegroups ndtset 96 spgroup1 16 spgroupma1 4 natom1 8 spgroup2 16 spgroupma2 5 natom2 8 spgroup3 16 spgroupma3 6 natom3 8 spgroup4 17 spgroupma4 11 natom4 8 spgroup5 17 spgroupma5 12 natom5 8 spgroup6 17 spgroupma6 13 natom6 8 spgroup7 17 spgroupma7 14 natom7 8 spgroup8 17 spgroupma8 15 natom8 8 spgroup9 18 spgroupma9 20 natom9 8 spgroup10 18 spgroupma10 21 natom10 8 spgroup11 18 spgroupma11 22 natom11 8 spgroup12 18 spgroupma12 23 natom12 8 spgroup13 18 spgroupma13 24 natom13 8 spgroup14 19 spgroupma14 28 natom14 8 spgroup15 19 spgroupma15 29 natom15 8 spgroup16 19 spgroupma16 30 natom16 8 spgroup17 20 spgroupma17 35 natom17 8 spgroup18 20 spgroupma18 36 natom18 8 spgroup19 20 spgroupma19 37 natom19 8 spgroup20 21 spgroupma20 42 natom20 8 spgroup21 21 spgroupma21 43 natom21 8 spgroup22 21 spgroupma22 44 natom22 8 spgroup23 22 spgroupma23 48 natom23 8 spgroup24 23 spgroupma24 52 natom24 8 spgroup25 24 spgroupma25 56 natom25 8 spgroup26 25 spgroupma26 61 natom26 8 spgroup27 25 spgroupma27 62 natom27 8 spgroup28 25 spgroupma28 63 natom28 8 spgroup29 25 spgroupma29 64 natom29 8 spgroup30 25 spgroupma30 65 natom30 8 spgroup31 26 spgroupma31 71 natom31 8 spgroup32 26 spgroupma32 72 natom32 8 spgroup33 26 spgroupma33 73 natom33 8 spgroup34 26 spgroupma34 74 natom34 8 spgroup35 26 spgroupma35 75 natom35 8 spgroup36 26 spgroupma36 76 natom36 8 spgroup37 26 spgroupma37 77 natom37 8 spgroup38 27 spgroupma38 82 natom38 8 spgroup39 27 spgroupma39 83 natom39 8 spgroup40 27 spgroupma40 84 natom40 8 spgroup41 27 spgroupma41 85 natom41 8 spgroup42 27 spgroupma42 86 natom42 8 spgroup43 28 spgroupma43 92 natom43 8 spgroup44 28 spgroupma44 93 natom44 8 spgroup45 28 spgroupma45 94 natom45 8 spgroup46 28 spgroupma46 95 natom46 8 spgroup47 28 spgroupma47 96 natom47 8 spgroup48 28 spgroupma48 97 natom48 8 spgroup49 28 spgroupma49 98 natom49 8 spgroup50 29 spgroupma50 104 natom50 8 spgroup51 29 spgroupma51 105 natom51 8 spgroup52 29 spgroupma52 106 natom52 8 spgroup53 29 spgroupma53 107 natom53 8 spgroup54 29 spgroupma54 108 natom54 8 spgroup55 29 spgroupma55 109 natom55 8 spgroup56 29 spgroupma56 110 natom56 8 spgroup57 30 spgroupma57 116 natom57 8 spgroup58 30 spgroupma58 117 natom58 8 spgroup59 30 spgroupma59 118 natom59 8 spgroup60 30 spgroupma60 119 natom60 8 spgroup61 30 spgroupma61 120 natom61 8 spgroup62 30 spgroupma62 121 natom62 8 spgroup63 30 spgroupma63 122 natom63 8 spgroup64 31 spgroupma64 128 natom64 8 spgroup65 31 spgroupma65 129 natom65 8 spgroup66 31 spgroupma66 130 natom66 8 spgroup67 31 spgroupma67 131 natom67 8 spgroup68 31 spgroupma68 132 natom68 8 spgroup69 31 spgroupma69 133 natom69 8 spgroup70 31 spgroupma70 134 natom70 8 spgroup71 32 spgroupma71 139 natom71 8 spgroup72 32 spgroupma72 140 natom72 8 spgroup73 32 spgroupma73 141 natom73 8 spgroup74 32 spgroupma74 142 natom74 8 spgroup75 32 spgroupma75 143 natom75 8 spgroup76 33 spgroupma76 149 natom76 8 spgroup77 33 spgroupma77 150 natom77 8 spgroup78 33 spgroupma78 151 natom78 8 spgroup79 33 spgroupma79 152 natom79 8 spgroup80 33 spgroupma80 153 natom80 8 spgroup81 33 spgroupma81 154 natom81 8 spgroup82 33 spgroupma82 155 natom82 8 spgroup83 34 spgroupma83 160 natom83 8 spgroup84 34 spgroupma84 161 natom84 8 spgroup85 34 spgroupma85 162 natom85 8 spgroup86 34 spgroupma86 163 natom86 8 spgroup87 34 spgroupma87 164 natom87 8 spgroup88 35 spgroupma88 169 natom88 8 spgroup89 35 spgroupma89 170 natom89 8 spgroup90 35 spgroupma90 171 natom90 8 spgroup91 36 spgroupma91 177 natom91 8 spgroup92 36 spgroupma92 178 natom92 8 spgroup93 36 spgroupma93 179 natom93 8 spgroup94 37 spgroupma94 184 natom94 8 spgroup95 37 spgroupma95 185 natom95 8 spgroup96 37 spgroupma96 186 natom96 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 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 = #%% t33.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 #%% orthorhombic space groups (part I) #%%