Spin texture #20
Description
I'm getting the following error while plotting the spin texture. What might be the reason for this?
Traceback (most recent call last):
File "/home/min/Desktop/VASP/cluster13/AZPbBr3/new/ortho/1.0/band_st/spin_tex_mcu.py", line 3, in
mymcu.plot_spin(band=101)
File "/home/min/anaconda3/lib/python3.10/site-packages/mcu/vasp/vasprun.py", line 619, in plot_spin
spin_text = self._generate_spin(self.vasprun, lm=lm)[:,:,band]
File "/home/min/anaconda3/lib/python3.10/site-packages/mcu/vasp/vasprun.py", line 516, in _generate_spin
assert len(formatted_atom) == 1, "For spin texture plot, you only need to provide one group of orbitals, for example, lm = 's,p'"
AssertionError: For spin texture plot, you only need to provide one group of orbitals, for example, lm = 's,p'
Here's my code for plotting:
import mcu
mymcu = mcu.VASP()
mymcu.plot_spin(band=101)