mirror of https://github.com/abinit/abinit.git
96 lines
3.0 KiB
Plaintext
96 lines
3.0 KiB
Plaintext
# Fake H crystal.
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# Test cubic spacegroups, Shubnikov type III
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ndtset 51
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spgroup1 200 spgroupma1 16 natom1 24
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spgroup2 201 spgroupma2 20 natom2 24
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spgroup3 202 spgroupma3 24 natom3 24
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spgroup4 203 spgroupma4 28 natom4 24
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spgroup5 204 spgroupma5 32 natom5 24
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spgroup6 205 spgroupma6 35 natom6 24
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spgroup7 206 spgroupma7 39 natom7 24
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spgroup8 207 spgroupma8 42 natom8 24
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spgroup9 208 spgroupma9 46 natom9 24
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spgroup10 209 spgroupma10 50 natom10 24
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spgroup11 210 spgroupma11 54 natom11 24
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spgroup12 211 spgroupma12 58 natom12 24
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spgroup13 212 spgroupma13 61 natom13 24
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spgroup14 213 spgroupma14 65 natom14 24
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spgroup15 214 spgroupma15 69 natom15 24
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spgroup16 215 spgroupma16 72 natom16 24
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spgroup17 216 spgroupma17 76 natom17 24
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spgroup18 217 spgroupma18 80 natom18 24
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spgroup19 218 spgroupma19 83 natom19 24
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spgroup20 219 spgroupma20 87 natom20 24
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spgroup21 220 spgroupma21 91 natom21 24
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spgroup22 221 spgroupma22 94 natom22 48
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spgroup23 221 spgroupma23 95 natom23 48
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spgroup24 221 spgroupma24 96 natom24 48
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spgroup25 222 spgroupma25 100 natom25 48
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spgroup26 222 spgroupma26 101 natom26 48
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spgroup27 222 spgroupma27 102 natom27 48
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spgroup28 223 spgroupma28 106 natom28 48
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spgroup29 223 spgroupma29 107 natom29 48
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spgroup30 223 spgroupma30 108 natom30 48
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spgroup31 224 spgroupma31 112 natom31 48
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spgroup32 224 spgroupma32 113 natom32 48
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spgroup33 224 spgroupma33 114 natom33 48
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spgroup34 225 spgroupma34 118 natom34 48
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spgroup35 225 spgroupma35 119 natom35 48
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spgroup36 225 spgroupma36 120 natom36 48
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spgroup37 226 spgroupma37 124 natom37 48
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spgroup38 226 spgroupma38 125 natom38 48
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spgroup39 226 spgroupma39 126 natom39 48
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spgroup40 227 spgroupma40 130 natom40 48
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spgroup41 227 spgroupma41 131 natom41 48
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spgroup42 227 spgroupma42 132 natom42 48
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spgroup43 228 spgroupma43 136 natom43 48
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spgroup44 228 spgroupma44 137 natom44 48
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spgroup45 228 spgroupma45 138 natom45 48
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spgroup46 229 spgroupma46 142 natom46 48
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spgroup47 229 spgroupma47 143 natom47 48
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spgroup48 229 spgroupma48 144 natom48 48
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spgroup49 230 spgroupma49 147 natom49 48
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spgroup50 230 spgroupma50 148 natom50 48
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spgroup51 230 spgroupma51 149 natom51 48
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# Common data
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prtvol -1 # stop in abinit (main program), before call driver.
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brvltt -1 # important to reduce the conventional cell to primitive,
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# and allow the recognition of space group
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acell 8 8 8
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ntypat 1
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znucl 1
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natrd 1
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xred 0.17 0.15 0.11
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nsppol 2
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spinat 0.0 0.0 1.0
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occopt 7
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typat 1
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ecut 1
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kptopt 0
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nkpt 1
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nline 1
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nstep 1
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toldfe 1.0d-6
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pp_dirpath "$ABI_PSPDIR"
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pseudos "01h.bare"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% [files]
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#%% files_to_test =
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#%% t24.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = Unknown
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#%% keywords =
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#%% description =
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#%% H based fake crystals : magnetic groups, Shubnikov type III
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#%% Test the generation and recognition of the cubic space groups
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#%%<END TEST_INFO>
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