From 02be85b11d71631f4933f5e842ffa149daecd88d Mon Sep 17 00:00:00 2001 From: Pietro Delugas Date: Tue, 27 Feb 2024 15:55:56 +0100 Subject: [PATCH] fix double reading of k points list by get_k_points method of PwDocument class. --- qeschema/documents.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/qeschema/documents.py b/qeschema/documents.py index 281b599..96ffd0a 100644 --- a/qeschema/documents.py +++ b/qeschema/documents.py @@ -615,7 +615,7 @@ def get_k_points(self): :return: nested list with k_points """ - path = './/output//k_point' + path = './/output//ks_energies/k_point' return [self.schema.find(path).decode(e)['$'] for e in self.findall(path)] @requires_xml_data