mirror of https://github.com/abinit/abinit.git
46 lines
1.5 KiB
Plaintext
46 lines
1.5 KiB
Plaintext
#Input file for 'band2eps.' This data layout must be used, line-by-line.
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#number of atoms in a cell :
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natom 2
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#minimum value, maximum value and number of tics of the vertical axe :
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min 0.0 max 600.0 ngrad 8
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#Units : 1 for cm-1, 2 for THz :
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cunit 1
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#Number of lines :
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nlines 7
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#Description of the points in q space :
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qpoint_name gamma K X gamma L X W L
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#Number of q points for each line :
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nqline 10 10 10 10 10 10 11
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#Scale factor for each line :
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scale 1.06066017 0.35355339 1.0 0.86602540 0.86602540 0.5 0.70710678
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#COLOR DEFINITION :
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#put 1 in place of the atom you want to be colored in
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#red
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red 0 0
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#green
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green 0 0
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#blue
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blue 0 0
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##############################################################
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# This section is used only for regression testing of ABINIT #
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##############################################################
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## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = band2eps
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#%% exclude_builders = bob_gnu_13.2_openmp, scope_gnu_10.2_paral
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#%% test_chain = tlw_4.abi, tlw_5.abi, tlw_6.abi, tlw_7.abi
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#%% no_check = yes
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#%% [files]
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#%% files_to_test =
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#%% tlw_7.out.eps, tolnlines= 5, 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 = M. Royo
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#%% keywords =
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#%% description = Input file for 'band2eps.' This data layout must be used, line-by-line.
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#%% topics = longwave
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#%%<END TEST_INFO>
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