From 192cb6f80f077d845e1605c09f4c2a96f831a4a4 Mon Sep 17 00:00:00 2001 From: TeetotalingTom <114575548+TeetotalingTom@users.noreply.github.com> Date: Tue, 10 Dec 2024 11:42:53 +0100 Subject: [PATCH] More digits for ABINIT paths with abistruct.py (#305) * Add one line * Longer printing with structure.py * removed empty line --------- Co-authored-by: Tom van Waas --- abipy/core/structure.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/abipy/core/structure.py b/abipy/core/structure.py index 5368ef057..b72e2481c 100644 --- a/abipy/core/structure.py +++ b/abipy/core/structure.py @@ -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")