mirror of https://github.com/abinit/abinit.git
126 lines
4.9 KiB
Plaintext
126 lines
4.9 KiB
Plaintext
# Fake H crystal.
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# Test tetragonal spacegroups
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ndtset 80
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spgroup1 111 spgroupma1 256 natom1 16
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spgroup2 111 spgroupma2 257 natom2 16
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spgroup3 111 spgroupma3 258 natom3 16
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spgroup4 112 spgroupma4 264 natom4 16
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spgroup5 112 spgroupma5 265 natom5 16
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spgroup6 112 spgroupma6 266 natom6 16
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spgroup7 113 spgroupma7 272 natom7 16
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spgroup8 113 spgroupma8 273 natom8 16
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spgroup9 113 spgroupma9 274 natom9 16
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spgroup10 114 spgroupma10 280 natom10 16
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spgroup11 114 spgroupma11 281 natom11 16
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spgroup12 114 spgroupma12 282 natom12 16
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spgroup13 115 spgroupma13 288 natom13 16
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spgroup14 115 spgroupma14 289 natom14 16
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spgroup15 115 spgroupma15 290 natom15 16
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spgroup16 116 spgroupma16 296 natom16 16
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spgroup17 116 spgroupma17 297 natom17 16
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spgroup18 116 spgroupma18 298 natom18 16
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spgroup19 117 spgroupma19 304 natom19 16
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spgroup20 117 spgroupma20 305 natom20 16
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spgroup21 117 spgroupma21 306 natom21 16
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spgroup22 118 spgroupma22 312 natom22 16
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spgroup23 118 spgroupma23 313 natom23 16
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spgroup24 118 spgroupma24 314 natom24 16
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spgroup25 119 spgroupma25 320 natom25 16
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spgroup26 120 spgroupma26 326 natom26 16
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spgroup27 121 spgroupma27 332 natom27 16
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spgroup28 122 spgroupma28 338 natom28 16
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spgroup29 123 spgroupma29 348 natom29 32
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spgroup30 123 spgroupma30 349 natom30 32
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spgroup31 123 spgroupma31 350 natom31 32
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spgroup32 124 spgroupma32 360 natom32 32
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spgroup33 124 spgroupma33 361 natom33 32
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spgroup34 124 spgroupma34 362 natom34 32
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spgroup35 125 spgroupma35 372 natom35 32
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spgroup36 125 spgroupma36 373 natom36 32
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spgroup37 125 spgroupma37 374 natom37 32
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spgroup38 126 spgroupma38 384 natom38 32
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spgroup39 126 spgroupma39 385 natom39 32
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spgroup40 126 spgroupma40 386 natom40 32
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spgroup41 127 spgroupma41 396 natom41 32
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spgroup42 127 spgroupma42 397 natom42 32
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spgroup43 127 spgroupma43 398 natom43 32
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spgroup44 128 spgroupma44 408 natom44 32
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spgroup45 128 spgroupma45 409 natom45 32
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spgroup46 128 spgroupma46 410 natom46 32
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spgroup47 129 spgroupma47 420 natom47 32
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spgroup48 129 spgroupma48 421 natom48 32
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spgroup49 129 spgroupma49 422 natom49 32
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spgroup50 130 spgroupma50 432 natom50 32
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spgroup51 130 spgroupma51 433 natom51 32
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spgroup52 130 spgroupma52 434 natom52 32
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spgroup53 131 spgroupma53 444 natom53 32
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spgroup54 131 spgroupma54 445 natom54 32
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spgroup55 131 spgroupma55 446 natom55 32
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spgroup56 132 spgroupma56 456 natom56 32
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spgroup57 132 spgroupma57 457 natom57 32
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spgroup58 132 spgroupma58 458 natom58 32
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spgroup59 133 spgroupma59 468 natom59 32
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spgroup60 133 spgroupma60 469 natom60 32
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spgroup61 133 spgroupma61 470 natom61 32
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spgroup62 134 spgroupma62 480 natom62 32
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spgroup63 134 spgroupma63 481 natom63 32
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spgroup64 134 spgroupma64 482 natom64 32
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spgroup65 135 spgroupma65 492 natom65 32
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spgroup66 135 spgroupma66 493 natom66 32
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spgroup67 135 spgroupma67 494 natom67 32
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spgroup68 136 spgroupma68 504 natom68 32
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spgroup69 136 spgroupma69 505 natom69 32
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spgroup70 136 spgroupma70 506 natom70 32
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spgroup71 137 spgroupma71 516 natom71 32
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spgroup72 137 spgroupma72 517 natom72 32
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spgroup73 137 spgroupma73 518 natom73 32
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spgroup74 138 spgroupma74 528 natom74 32
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spgroup75 138 spgroupma75 529 natom75 32
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spgroup76 138 spgroupma76 530 natom76 32
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spgroup77 139 spgroupma77 540 natom77 32
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spgroup78 140 spgroupma78 550 natom78 32
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spgroup79 141 spgroupma79 560 natom79 32
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spgroup80 142 spgroupma80 570 natom80 32
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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 7 7 9
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angdeg 90 90 90
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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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#%% t37.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 IV
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#%% Test the generation and recognition of the tetragonal space groups (part II)
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#%%<END TEST_INFO>
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