[Wien] Rhombohedral unit cell
Lukasz Plucinski
lukasz.galaxy.s3 at gmail.com
Fri Jun 27 16:06:51 CEST 2025
Dear All,
I have been calculating one of the magnetic 2D materials, In bulk it is
rhombohedral, and the struct file has 3 non-eqivalent atoms, while the
total number of atoms is 10. Calculation runs without any issues.
I would like to make all atoms non-equivalent, while leaving everything
else the same.
I tried disconnecting the atoms in w2web interface. However, then already x
nn leads to errors.
Do you know how to properly split the atoms, while keeping the R structure?
Best,
Lukasz
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