I’m getting the below error message when trying to generate the wave function coefficients (amset wave). I’m able to successfully run “amset wave” on other systems using the same version of vasp and INCAR file. I have tried adding “-v std” but I get the same error.
Thanks for any help.
******* Getting wavefunction coefficients *******
Including:
- Spin-up bands 148—165
- Spin-down bands 150—165
Traceback (most recent call last):
File "/projects/anaconda3/bin/amset", line 33, in <module>
sys.exit(load_entry_point('amset==0.4.15', 'console_scripts', 'amset')())
File "/projects/anaconda3/lib/python3.8/site-packages/click/core.py", line 1128, in __call__
return self.main(*args, **kwargs)
File "/projects/anaconda3/lib/python3.8/site-packages/click/core.py", line 1053, in main
rv = self.invoke(ctx)
File "/projects/anaconda3/lib/python3.8/site-packages/click/core.py", line 1659, in invoke
return _process_result(sub_ctx.command.invoke(sub_ctx))
File "/projects/anaconda3/lib/python3.8/site-packages/click/core.py", line 1395, in invoke
return ctx.invoke(self.callback, **ctx.params)
File "/projects/anaconda3/lib/python3.8/site-packages/click/core.py", line 754, in invoke
return __callback(*args, **kwargs)
File "/projects/anaconda3/lib/python3.8/site-packages/amset-0.4.15-py3.8.egg/amset/tools/wavefunction.py", line 103, in wave
coeffs, gpoints = _wavefunction_vasp(
File "/projects/anaconda3/lib/python3.8/site-packages/amset-0.4.15-py3.8.egg/amset/tools/wavefunction.py", line 124, in _wavefunction_vasp
wf = get_wavefunction(wavecar=wavecar, directory=directory, vasp_type=vasp_type)
File "/projects/anaconda3/lib/python3.8/site-packages/amset-0.4.15-py3.8.egg/amset/wavefunction/vasp.py", line 28, in get_wavefunction
return Wavecar(wavecar, vasp_type=vasp_type)
File "/projects/anaconda3/lib/python3.8/site-packages/pymatgen-2022.2.7-py3.8-linux-x86_64.egg/pymatgen/io/vasp/outputs.py", line 4962, in __init__
raise ValueError(
ValueError: Incorrect value of vasp_type given (std). Please open an issue if you are certain this WAVECAR was generated with the given vasp_type.