From 8eaef8cc1004b68644534b47943eb3d6c12df56d Mon Sep 17 00:00:00 2001
From: Sean Kavanagh <s.kavanagh19@imperial.ac.uk>
Date: Sat, 6 Apr 2024 14:41:01 -0400
Subject: [PATCH] Fix typos

---
 docs/examples/example_si222.md |  2 +-
 easyunfold/cli.py              |  6 +++---
 examples/MgO/POSCAR            | 16 ----------------
 tests/test_cli.py              |  2 +-
 4 files changed, 5 insertions(+), 21 deletions(-)
 delete mode 100644 examples/MgO/POSCAR

diff --git a/docs/examples/example_si222.md b/docs/examples/example_si222.md
index 1e98bbd..73b835f 100644
--- a/docs/examples/example_si222.md
+++ b/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.
diff --git a/easyunfold/cli.py b/easyunfold/cli.py
index 34d653c..9a1366c 100644
--- a/easyunfold/cli.py
+++ b/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']
diff --git a/examples/MgO/POSCAR b/examples/MgO/POSCAR
deleted file mode 100644
index d6750b7..0000000
--- a/examples/MgO/POSCAR
+++ /dev/null
@@ -1,16 +0,0 @@
-Mg4 O4
-1.0
-0.0000000000000000 4.2564840000000004 4.2564840000000004
-2.1282420000000002 0.0000000000000000 2.1282420000000002
-4.2564840000000004 4.2564840000000004 0.0000000000000000
-Mg O
-4 4
-direct
-0.01 0.01 0.0100000000000000 Mg
-0.0000000000000000 0.0000000000000000 0.5000000000000000 Mg
-0.5000000000000000 0.0000000000000000 0.0000000000000000 Mg
-0.5000000000000000 0.0000000000000000 0.5000000000000000 Mg
-0.7500000000000000 0.5000000000000000 0.2500000000000000 O
-0.7500000000000000 0.5000000000000000 0.7500000000000000 O
-0.2500000000000000 0.5000000000000000 0.2500000000000000 O
-0.2500000000000000 0.5000000000000000 0.7500000000000000 O
diff --git a/tests/test_cli.py b/tests/test_cli.py
index 7e3a18b..3d1704b 100644
--- a/tests/test_cli.py
+++ b/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')