unit test for the Fermi energy in the wannier90 converter

test/LaVO3-Pnma_ef.inp

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+  0  3 2 3
+  8.0
+  4
+  0  0  2  3  0  0
+  1  0  2  3  0  0
+  2  0  2  3  0  0
+  3  0  2  3  0  0
+10.3

test/test_w90_ef.py

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+import unittest
+import numpy as np
+import sys
+sys.path.insert(1, '../python/converters/')
+from wannier90_converter import Wannier90Converter
+from triqs_dft_tools import SumkDFT
+
+class test_w90_conv(unittest.TestCase):
+
+    def test_hopping(self):
+
+        conv1 = Wannier90Converter(seedname='LaVO3-Pnma')
+        conv1.convert_dft_input()
+        SK1 = SumkDFT(hdf_file='LaVO3-Pnma.h5')
+
+        conv2 = Wannier90Converter(seedname='LaVO3-Pnma_ef')
+        conv2.convert_dft_input()
+        SK2 = SumkDFT(hdf_file='LaVO3-Pnma_ef.h5')
+
+        for ik in range(SK1.n_k):
+            self.assertTrue(np.all(SK1.hopping[ik,0] - conv2.fermi_energy*np.identity(SK1.n_orbitals[ik][0]) - SK2.hopping[ik,0] < 1e-12))
+                             
+if __name__ == '__main__':
+    unittest.main()
+