mirror of https://github.com/abinit/abinit.git
107 lines
3.9 KiB
Plaintext
107 lines
3.9 KiB
Plaintext
# Fake H crystal.
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# Test orthorhombic spacegroups
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ndtset 60
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spgroup1 57 spgroupma1 386 natom1 16
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spgroup2 57 spgroupma2 387 natom2 16
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spgroup3 57 spgroupma3 388 natom3 16
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spgroup4 57 spgroupma4 389 natom4 16
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spgroup5 57 spgroupma5 390 natom5 16
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spgroup6 57 spgroupma6 391 natom6 16
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spgroup7 57 spgroupma7 392 natom7 16
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spgroup8 58 spgroupma8 400 natom8 16
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spgroup9 58 spgroupma9 401 natom9 16
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spgroup10 58 spgroupma10 402 natom10 16
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spgroup11 58 spgroupma11 403 natom11 16
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spgroup12 58 spgroupma12 404 natom12 16
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spgroup13 59 spgroupma13 412 natom13 16
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spgroup14 59 spgroupma14 413 natom14 16
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spgroup15 59 spgroupma15 414 natom15 16
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spgroup16 59 spgroupma16 415 natom16 16
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spgroup17 59 spgroupma17 416 natom17 16
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spgroup18 60 spgroupma18 426 natom18 16
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spgroup19 60 spgroupma19 427 natom19 16
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spgroup20 60 spgroupma20 428 natom20 16
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spgroup21 60 spgroupma21 429 natom21 16
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spgroup22 60 spgroupma22 430 natom22 16
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spgroup23 60 spgroupma23 431 natom23 16
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spgroup24 60 spgroupma24 432 natom24 16
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spgroup25 61 spgroupma25 438 natom25 16
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spgroup26 61 spgroupma26 439 natom26 16
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spgroup27 61 spgroupma27 440 natom27 16
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spgroup28 62 spgroupma28 450 natom28 16
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spgroup29 62 spgroupma29 451 natom29 16
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spgroup30 62 spgroupma30 452 natom30 16
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spgroup31 62 spgroupma31 453 natom31 16
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spgroup32 62 spgroupma32 454 natom32 16
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spgroup33 62 spgroupma33 455 natom33 16
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spgroup34 62 spgroupma34 456 natom34 16
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spgroup35 63 spgroupma35 466 natom35 16
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spgroup36 63 spgroupma36 467 natom36 16
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spgroup37 63 spgroupma37 468 natom37 16
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spgroup38 64 spgroupma38 478 natom38 16
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spgroup39 64 spgroupma39 479 natom39 16
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spgroup40 64 spgroupma40 480 natom40 16
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spgroup41 65 spgroupma41 488 natom41 16
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spgroup42 65 spgroupma42 489 natom42 16
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spgroup43 65 spgroupma43 490 natom43 16
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spgroup44 66 spgroupma44 498 natom44 16
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spgroup45 66 spgroupma45 499 natom45 16
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spgroup46 66 spgroupma46 500 natom46 16
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spgroup47 67 spgroupma47 508 natom47 16
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spgroup48 67 spgroupma48 509 natom48 16
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spgroup49 67 spgroupma49 510 natom49 16
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spgroup50 68 spgroupma50 518 natom50 16
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spgroup51 68 spgroupma51 519 natom51 16
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spgroup52 68 spgroupma52 520 natom52 16
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spgroup53 69 spgroupma53 526 natom53 16
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spgroup54 70 spgroupma54 532 natom54 16
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spgroup55 71 spgroupma55 538 natom55 16
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spgroup56 72 spgroupma56 546 natom56 16
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spgroup57 72 spgroupma57 547 natom57 16
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spgroup58 73 spgroupma58 553 natom58 16
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spgroup59 74 spgroupma59 561 natom59 16
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spgroup60 74 spgroupma60 562 natom60 16
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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 8 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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#%% t35.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -medium
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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
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#%% orthorhombic space groups (part III)
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#%%<END TEST_INFO>
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