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romerogroup / pyprocar

A Python library for electronic structure pre/post-processing
GNU General Public License v3.0
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problem in plotting spin texture #78

Open Moon121212 opened 2 years ago

Moon121212 commented 2 years ago

Dear all, I trying to plot spin textue . I would appreciate your help to solve the error First, I performed non-collinear calculation using K-mesh grigd, which I obtained from PyProcar Code pyprocar.generate2dkmesh(-0.5,-0.5,0.5,0.5,0,5,7) After calculation, I used the PROCAR file to plot spin texture using PyProcar and when I use this code pyprocar.fermi2D('PROCAR', outcar='OUTCAR', st=True, energy=0.60, noarrow=True, spin=1, code='vasp') I get this error Bands will be shifted by the Fermi energy = 0.624 FermiSurface::ERROR: No bands found in that range. Check your data. Returning Traceback (most recent call last): File "/home/shatha/project/paper/texture/spin.py", line 2, in pyprocar.fermi2D('PROCAR', outcar='OUTCAR', st=True, energy=0.60, noarrow=True, spin=1, code='vasp') File "/home/shatha/anaconda3/lib/python3.9/site-packages/pyprocar/scriptFermi2D.py", line 182, in fermi2D fs.FindEnergy(energy) File "/home/shatha/anaconda3/lib/python3.9/site-packages/pyprocar/fermisurface/fermisurface.py", line 59, in FindEnergy raise RuntimeError("No bands to plot") RuntimeError: No bands to plot OUTCAR.txt