From 75a7749180fc3f61db529bdf8c1735c62cd31adc Mon Sep 17 00:00:00 2001 From: "H. L. Nourse" <32994022+thenoursehorse@users.noreply.github.com> Date: Tue, 22 Jun 2021 14:44:17 +1000 Subject: [PATCH] fixed normalization of kwghts to allow symmetries - very tunnel visioned and haven't checked anything else --- python/triqs_dft_tools/converters/plovasp/vaspio.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/triqs_dft_tools/converters/plovasp/vaspio.py b/python/triqs_dft_tools/converters/plovasp/vaspio.py index 322bf47d..97e1d6f6 100644 --- a/python/triqs_dft_tools/converters/plovasp/vaspio.py +++ b/python/triqs_dft_tools/converters/plovasp/vaspio.py @@ -504,7 +504,7 @@ class Kpoints: self.kpts[ik, :] = list(map(float, sline[:3])) self.kwghts[ik] = float(sline[3]) - self.kwghts /= self.nktot + self.kwghts /= np.sum(self.kwghts) # Attempt to read tetrahedra # Skip comment line ("Tetrahedra")