From 5f7354c7c419b428fffe74a6e83381a86c5c59f1 Mon Sep 17 00:00:00 2001 From: qzhu2017 Date: Thu, 3 Oct 2024 13:23:44 -0400 Subject: [PATCH] fix a bug regarding rare elements --- pyxtal/database/element.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/pyxtal/database/element.py b/pyxtal/database/element.py index 9ed3692b..a1122ceb 100644 --- a/pyxtal/database/element.py +++ b/pyxtal/database/element.py @@ -281,7 +281,8 @@ def __init__(self, input_value): self.covalent_radius = self.elements_list[pos][5] self.vdw_radius = self.elements_list[pos][6] self.metallic_radius = self.elements_list[pos][7] - self.scatter = self.sf[pos] + if pos <= len(self.sf): + self.scatter = self.sf[pos] def get_all(self, pos): """