6.0.0-dev.30 resfields doesn't consider all symmetry sites
Posted: Tue Mar 09, 2021 6:42 am
Hello,
I noticed, when calculating epr roadmaps for single crystal rotation, and the CrystalSymmetry is indicated, spectra for only one site is calculated.
Indicating sites in Opt.Sites doesn't help. Pepper works fine though.
In version 5 'resfields' works fine.
Here's how it looks like using example script 'crystalroadmap.m' from the documentation:
On the left calculated with 6.0.0-dev.30, on the right - with 5.2.30.
Could be a bug or something changed?