Fix typos

docs/examples/example_si222.md

@@ -210,7 +210,7 @@ Path in the primitive cell:
  W : 38 
  X : 50 
  \Gamma : 73 
-Unfolding had been performed - use `unfold plot` to plot the spectral function.
+Unfolding has been performed - use `unfold plot` to plot the spectral function.
 ```
 
 Note that in most cases one would always want to include the additional kpoints to correctly capture the effect of symmetry breaking.

easyunfold/cli.py

@@ -214,7 +214,7 @@ def unfold_status(ctx):
  click.echo(f' {label:<10}: {index+1:<5}')
 
  if unfoldset.is_calculated:
- click.echo('Unfolding had been performed - use `unfold plot` to plot the spectral function.')
+ click.echo('Unfolding has been performed - use `unfold plot` to plot the spectral function.')
  else:
  click.echo('Please run the supercell band structure calculation and run `unfold calculate`.')
 
@@ -305,7 +305,7 @@ def unfold_effective_mass(ctx, intensity_threshold, spin, band_filter, npoints,
  for mode in ['cbm', 'vbm']:
  for kid, subkid, iband in zip(*efm.get_band_extrema(mode=mode)):
  band_idx = ','.join(map(str, iband))
- table.append([kid, mode, subkid, band_idx])
+ table.append([kid, mode.upper(), subkid, band_idx])
  click.echo(tabulate(table, headers=['Kpoint index', 'Kind', 'Sub-kpoint index', 'Band indices']))
  click.echo('')
 
@@ -331,7 +331,7 @@ def print_data(entries, tag='me'):
  """Print the effective mass data"""
  table = []
  for i, entry in enumerate(entries):
- me = entry['effective_mass']
+ me = round(entry['effective_mass'], 3)
 
  kf = entry['kpoint_from']
  lf = entry['kpoint_label_from']

tests/test_cli.py

@@ -207,7 +207,7 @@ def test_unfold(si_project_dir, tag):
  args_calc = ['unfold', '--data-file', 'test.json', 'status']
  output = runner.invoke(easyunfold, args_calc)
  assert output.exit_code == 0
- assert 'had been performed' in output.stdout
+ assert 'has been performed' in output.stdout
 
  unfoldset = loadfn('test.json')