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More digits for ABINIT paths with abistruct.py (#305)
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* Add one line

* Longer printing with structure.py

* removed empty line

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Co-authored-by: Tom van Waas <tvanwaas@frontal01.lucia.cenaero.be>
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TeetotalingTom and Tom van Waas authored Dec 10, 2024
1 parent f7f0a2b commit 192cb6f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion abipy/core/structure.py
Original file line number Diff line number Diff line change
Expand Up @@ -2351,7 +2351,7 @@ def get_kpath_input_string(self, fmt: str = "abinit", line_density: int = 10) ->
app(" kptopt %d" % -(len(self.hsym_kpoints) - 1))
app(" kptbounds")
for k in self.hsym_kpoints:
app(" {:+.5f} {:+.5f} {:+.5f} # {kname}".format(*k.frac_coords, kname=k.name))
app(" {:+.9f} {:+.9f} {:+.9f} # {kname}".format(*k.frac_coords, kname=k.name))

elif fmt in ("wannier90", "w90"):
app("# Wannier90 structure")
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