From 53cbabd7e65baab2bb4c0fd5e38b727791af4da7 Mon Sep 17 00:00:00 2001 From: Omar Ashour Date: Wed, 8 Nov 2023 17:51:38 -0800 Subject: [PATCH] Update OUTCAR docstring --- pymatgen/io/vasp/outputs.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/pymatgen/io/vasp/outputs.py b/pymatgen/io/vasp/outputs.py index 26b113f489e..11cff48c0a2 100644 --- a/pymatgen/io/vasp/outputs.py +++ b/pymatgen/io/vasp/outputs.py @@ -1572,6 +1572,8 @@ class Outcar: Attributes: magnetization (tuple): Magnetization on each ion as a tuple of dict, e.g., ({"d": 0.0, "p": 0.003, "s": 0.002, "tot": 0.005}, ... ) + orbital_moment (tuple): Orbital moments on each ion as a tuple of dict, e.g., + ({"d": 0.109, "p": -0.001, "tot": 0.108}, ... ) chemical_shielding (dict): Chemical shielding on each ion as a dictionary with core and valence contributions. unsym_cs_tensor (list): Unsymmetrized chemical shielding tensor matrixes on each ion as a list. e.g., [[[sigma11, sigma12, sigma13], [sigma21, sigma22, sigma23], [sigma31, sigma32, sigma33]], ...]