Adding test for labelinfo.dat

wannier-developers · Aug 29, 2018 · e5389ab · e5389ab
1 parent 864631a
commit e5389ab
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diff --git a/test-suite/tests/jobconfig b/test-suite/tests/jobconfig
@@ -22,6 +22,12 @@ program = WANNIER90_WOUT_OK
 inputs_args = ('silicon.win', '')
 output = silicon.wout
 
+# Silicon, 4 valence bands + 4 conduction bands; interpolated bandstructure, checking the labelinfo.dat file
+[testw90_example03_labelinfo]
+program = WANNIER90_LABELINFO
+inputs_args = ('silicon.win', '')
+output = silicon_band.labelinfo.dat
+
 # Copper, states around the Fermi level; Fermi surface
 [testw90_example04]
 program = WANNIER90_WOUT_OK

diff --git a/test-suite/tests/testw90_example03_labelinfo/.gitignore b/test-suite/tests/testw90_example03_labelinfo/.gitignore
@@ -0,0 +1,5 @@
+silicon_band.dat
+silicon_band.kpt
+silicon_band.labelinfo.dat
+silicon_band.gnu
+silicon.wout
diff --git a/test-suite/tests/testw90_example03_labelinfo/benchmark.out.default.inp=silicon.win b/test-suite/tests/testw90_example03_labelinfo/benchmark.out.default.inp=silicon.win
@@ -0,0 +1,8 @@
+L                               1         0.0000000000      0.5000000000      0.5000000000      0.5000000000
+G                             101         1.0081143643      0.0000000000      0.0000000000      0.0000000000
+X                             216         2.1721845635      0.5000000000      0.0000000000      0.5000000000
+X                             217         2.1721845635      0.5000000000     -0.5000000000      0.0000000000
+K                             258         2.5837455293      0.3750000000     -0.3750000000      0.0000000000
+G                             380         3.8184284267      0.0000000000      0.0000000000      0.0000000000
+X                             381         3.8184284267      0.5000000000      0.0000000000      0.5000000000
+L                             481         4.8265427910      0.5000000000      0.5000000000      0.5000000000
diff --git a/test-suite/tests/testw90_example03_labelinfo/silicon.amn b/test-suite/tests/testw90_example03_labelinfo/silicon.amn
diff --git a/test-suite/tests/testw90_example03_labelinfo/silicon.eig b/test-suite/tests/testw90_example03_labelinfo/silicon.eig