I have relaxed a supercell of SiC using vasp in pbe level using ISPIN=2. While reading the OUTCAR file using ase.io.read or ase.io.vasp.read_vasp_out, I am getting the following error. What is the reason behind the error and how can I successfully read my OUTCAR.
from ase.io import read
out1=read(‘OUTCAR’)
Traceback (most recent call last):
File “”, line 1, in
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/formats.py”, line 736, in read
return next(_iread(filename, slice(index, None), format, io,
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/parallel.py”, line 275, in new_generator
for result in generator(*args, **kwargs):
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/formats.py”, line 803, in _iread
for dct in io.read(fd, *args, **kwargs):
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/formats.py”, line 559, in wrap_read_function
for atoms in read(filename, index, **kwargs):
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/utils/init.py”, line 486, in iofunc
obj = func(fd, *args, **kwargs)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/vasp.py”, line 270, in read_vasp_out
return list(g)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/utils.py”, line 246, in call
yield chunk.build(**kwargs)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/vasp_parsers/vasp_outcar_parsers.py”, line 710, in build
return self.parser.build(self.lines)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/vasp_parsers/vasp_outcar_parsers.py”, line 593, in build
results = self.parse(lines)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/vasp_parsers/vasp_outcar_parsers.py”, line 527, in parse
prop = parser.parse(cursor, lines)
File “/home/thsim21/anaconda3/lib/python3.9/site-packages/ase/io/vasp_parsers/vasp_outcar_parsers.py”, line 436, in parse
assert ‘spin component’ in lines[cursor]
AssertionError