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# creates: bztable.rst
# creates: 00.CUB.svg 01.FCC.svg 02.BCC.svg 03.TET.svg 04.BCT1.svg
# creates: 05.BCT2.svg 06.ORC.svg 07.ORCF1.svg 08.ORCF2.svg 09.ORCF3.svg
# creates: 10.ORCI.svg 11.ORCC.svg 12.HEX.svg 13.RHL1.svg 14.RHL2.svg
# creates: 15.MCL.svg 16.MCLC1.svg 17.MCLC3.svg 18.MCLC5.svg 19.TRI1a.svg
# creates: 20.TRI1b.svg 21.TRI2a.svg 22.TRI2b.svg
# creates: 23.OBL.svg 24.RECT.svg 25.CRECT.svg 26.HEX2D.svg 27.SQR.svg
from ase.lattice import all_variants
header = """\
Brillouin zone data
-------------------
.. list-table::
:widths: 10 15 45
"""
entry = """\
* - {name} ({longname})
- {bandpath}
- .. image:: {fname}
:width: 40 %
"""
with open('bztable.rst', 'w') as fd:
print(header, file=fd)
for i, lat in enumerate(all_variants()):
id = f'{i:02d}.{lat.variant}'
imagefname = f'{id}.svg'
txt = entry.format(
name=lat.variant,
longname=lat.longname,
bandpath=lat.bandpath().path,
fname=imagefname,
)
print(txt, file=fd)
ax = lat.plot_bz()
fig = ax.get_figure()
fig.savefig(imagefname, bbox_inches='tight')
fig.clear()
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