From 07fd538d4113cd0393321046128979b4d8447f21 Mon Sep 17 00:00:00 2001 From: Zhuoyuan <75076820+ZLI-afk@users.noreply.github.com> Date: Sun, 7 Jan 2024 12:18:31 +0800 Subject: [PATCH] feat: support seekpath for automatic band path seek for Phonon.py --- apex/core/property/Phonon.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/apex/core/property/Phonon.py b/apex/core/property/Phonon.py index d1e017a..3dc9c6e 100644 --- a/apex/core/property/Phonon.py +++ b/apex/core/property/Phonon.py @@ -455,9 +455,10 @@ def extract_seekpath_band(seekpath_data: dict): return extracted_path @staticmethod - def band_list_2_phonopy_band_string(band_list: list[list[dict[Any, Any]]]) -> [str, str]: + def band_list_2_phonopy_band_string(band_list) -> [str, str]: band_string = "" band_label = "" + # type of band_list: list[list[dict[Any, Any]]] for branch in band_list: for point in branch: name = list(point.keys())[0]