diff --git a/test/python/w90_convert.py b/test/python/w90_convert_LaVO3.py
similarity index 52%
rename from test/python/w90_convert.py
rename to test/python/w90_convert_LaVO3.py
index 7ce69a36..5aa6a0ca 100644
--- a/test/python/w90_convert.py
+++ b/test/python/w90_convert_LaVO3.py
@@ -20,11 +20,12 @@
#
################################################################################
+"""
+LaVO3 tests: four correlated sites, one impurity
+"""
-import os
import sys
from triqs_dft_tools.converters import Wannier90Converter
-from triqs_dft_tools import SumkDFT
from triqs.utility import h5diff
from triqs.utility import mpi
from h5 import HDFArchive
@@ -57,7 +58,6 @@ def custom_h5diff(filename1, filename2):
subfolder = 'w90_convert/'
-# --------------------- LaVO3 tests, four correlated sites, one impurity ---------------------
# test rot_mat_type='hloc_diag'
seedname = subfolder+'LaVO3-Pbnm'
@@ -86,68 +86,3 @@ converter.convert_dft_input()
if mpi.is_master_node():
custom_h5diff(seedname+'_lambda.out.h5', seedname+'_lambda.ref.h5')
-
-# --------------------- Collinear SrVO3 tests, two correlated sites (V t2g and V eg)
-# and uncorrelated orbitals (O p), two impurities ---------------------
-
-# test svo, bloch_basis False
-seedname = subfolder+'SrVO3_col'
-converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_wannierbasis.out.h5',
- rot_mat_type='hloc_diag', bloch_basis=False)
-converter.convert_dft_input()
-
-if mpi.is_master_node():
- h5diff.h5diff(seedname+'_wannierbasis.out.h5', seedname+'_wannierbasis.ref.h5')
-
-# test svo, bloch_basis True
-if mpi.is_master_node():
- os.rename(seedname + '.OUTCAR', subfolder + 'OUTCAR')
- os.rename(seedname + '.LOCPROJ', subfolder + 'LOCPROJ')
-mpi.barrier()
-try:
- converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_blochbasis.out.h5',
- rot_mat_type='hloc_diag', bloch_basis=True)
- converter.convert_dft_input()
- fermi_energy = converter.fermi_energy
-finally:
- if mpi.is_master_node():
- os.rename(subfolder + 'OUTCAR', seedname + '.OUTCAR')
- os.rename(subfolder + 'LOCPROJ', seedname + '.LOCPROJ')
-
-if mpi.is_master_node():
- h5diff.h5diff(seedname+'_blochbasis.out.h5', seedname+'_blochbasis.ref.h5')
-
-# Compares effective atomic levels between wannier and bloch basis
-sum_k_wannier = SumkDFT(seedname+'_wannierbasis.out.h5')
-eff_levels_wannier = sum_k_wannier.eff_atomic_levels()
-sum_k_bloch = SumkDFT(seedname+'_blochbasis.out.h5')
-sum_k_bloch.set_mu(-fermi_energy)
-eff_levels_bloch = sum_k_bloch.eff_atomic_levels()
-h5diff.compare('', eff_levels_wannier, eff_levels_bloch, 0, 1e-5)
-if h5diff.failures :
- print('-'*50, file=sys.stderr)
- print('-'*20 + ' FAILED ' + '-'*20, file=sys.stderr)
- print('-'*50, file=sys.stderr)
- for x in h5diff.failures:
- print(x, file=sys.stderr)
- print('-'*50, file=sys.stderr)
- raise RuntimeError('FAILED')
-
-# --------------------- Collinear SrVO3 tests, one correlated site and uncorrelated orbitals, one impurity ---------------------
-# test SVO, bloch_basis False and add_lambda
-seedname = subfolder+'SrVO3_t2g_col'
-converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_lambda.out.h5',
- rot_mat_type='wannier', bloch_basis=False, add_lambda=(.3, .3, .3))
-converter.convert_dft_input()
-
-if mpi.is_master_node():
- h5diff.h5diff(seedname+'_lambda.out.h5', seedname+'_lambda.ref.h5')
-
-# --------------------- SOC SrVO3 tests, one correlated site and uncorrelated orbitals, one impurity ---------------------
-seedname = subfolder+'SrVO3_soc'
-converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'.out.h5',
- rot_mat_type='wannier', bloch_basis=False)
-converter.convert_dft_input()
-
-if mpi.is_master_node():
- h5diff.h5diff(seedname+'.out.h5', seedname+'.ref.h5')
diff --git a/test/python/w90_convert_SrVO3_col.py b/test/python/w90_convert_SrVO3_col.py
new file mode 100644
index 00000000..969336b5
--- /dev/null
+++ b/test/python/w90_convert_SrVO3_col.py
@@ -0,0 +1,79 @@
+
+################################################################################
+#
+# TRIQS: a Toolbox for Research in Interacting Quantum Systems
+#
+# Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola
+#
+# TRIQS is free software: you can redistribute it and/or modify it under the
+# terms of the GNU General Public License as published by the Free Software
+# Foundation, either version 3 of the License, or (at your option) any later
+# version.
+#
+# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
+# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
+# details.
+#
+# You should have received a copy of the GNU General Public License along with
+# TRIQS. If not, see .
+#
+################################################################################
+
+
+"""
+Collinear SrVO3 tests: two correlated sites (V t2g and V eg) and uncorrelated
+orbitals (O p), two impurities
+"""
+
+import os
+import sys
+from triqs_dft_tools.converters import Wannier90Converter
+from triqs_dft_tools import SumkDFT
+from triqs.utility import h5diff
+from triqs.utility import mpi
+
+subfolder = 'w90_convert/'
+
+# test svo, bloch_basis False
+seedname = subfolder+'SrVO3_col'
+converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_wannierbasis.out.h5',
+ rot_mat_type='hloc_diag', bloch_basis=False)
+converter.convert_dft_input()
+
+if mpi.is_master_node():
+ h5diff.h5diff(seedname+'_wannierbasis.out.h5', seedname+'_wannierbasis.ref.h5')
+
+# test svo, bloch_basis True
+if mpi.is_master_node():
+ os.rename(seedname + '.OUTCAR', subfolder + 'OUTCAR')
+ os.rename(seedname + '.LOCPROJ', subfolder + 'LOCPROJ')
+mpi.barrier()
+try:
+ converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_blochbasis.out.h5',
+ rot_mat_type='hloc_diag', bloch_basis=True)
+ converter.convert_dft_input()
+ fermi_energy = converter.fermi_energy
+finally:
+ if mpi.is_master_node():
+ os.rename(subfolder + 'OUTCAR', seedname + '.OUTCAR')
+ os.rename(subfolder + 'LOCPROJ', seedname + '.LOCPROJ')
+
+if mpi.is_master_node():
+ h5diff.h5diff(seedname+'_blochbasis.out.h5', seedname+'_blochbasis.ref.h5')
+
+# Compares effective atomic levels between wannier and bloch basis
+sum_k_wannier = SumkDFT(seedname+'_wannierbasis.out.h5')
+eff_levels_wannier = sum_k_wannier.eff_atomic_levels()
+sum_k_bloch = SumkDFT(seedname+'_blochbasis.out.h5')
+sum_k_bloch.set_mu(-fermi_energy)
+eff_levels_bloch = sum_k_bloch.eff_atomic_levels()
+h5diff.compare('', eff_levels_wannier, eff_levels_bloch, 0, 1e-5)
+if h5diff.failures :
+ print('-'*50, file=sys.stderr)
+ print('-'*20 + ' FAILED ' + '-'*20, file=sys.stderr)
+ print('-'*50, file=sys.stderr)
+ for x in h5diff.failures:
+ print(x, file=sys.stderr)
+ print('-'*50, file=sys.stderr)
+ raise RuntimeError('FAILED')
diff --git a/test/python/w90_convert_SrVO3_soc.py b/test/python/w90_convert_SrVO3_soc.py
new file mode 100644
index 00000000..796caea0
--- /dev/null
+++ b/test/python/w90_convert_SrVO3_soc.py
@@ -0,0 +1,40 @@
+
+################################################################################
+#
+# TRIQS: a Toolbox for Research in Interacting Quantum Systems
+#
+# Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola
+#
+# TRIQS is free software: you can redistribute it and/or modify it under the
+# terms of the GNU General Public License as published by the Free Software
+# Foundation, either version 3 of the License, or (at your option) any later
+# version.
+#
+# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
+# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
+# details.
+#
+# You should have received a copy of the GNU General Public License along with
+# TRIQS. If not, see .
+#
+################################################################################
+
+"""
+SOC SrVO3 tests: one correlated site and uncorrelated orbitals, one impurity
+"""
+
+from triqs_dft_tools.converters import Wannier90Converter
+from triqs.utility import h5diff
+from triqs.utility import mpi
+
+subfolder = 'w90_convert/'
+
+# bloch_basis False
+seedname = subfolder+'SrVO3_soc'
+converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'.out.h5',
+ rot_mat_type='wannier', bloch_basis=False)
+converter.convert_dft_input()
+
+if mpi.is_master_node():
+ h5diff.h5diff(seedname+'.out.h5', seedname+'.ref.h5')
diff --git a/test/python/w90_convert_SrVO3_t2g_col.py b/test/python/w90_convert_SrVO3_t2g_col.py
new file mode 100644
index 00000000..d3bb6c5a
--- /dev/null
+++ b/test/python/w90_convert_SrVO3_t2g_col.py
@@ -0,0 +1,40 @@
+
+################################################################################
+#
+# TRIQS: a Toolbox for Research in Interacting Quantum Systems
+#
+# Copyright (C) 2011 by M. Aichhorn, L. Pourovskii, V. Vildosola
+#
+# TRIQS is free software: you can redistribute it and/or modify it under the
+# terms of the GNU General Public License as published by the Free Software
+# Foundation, either version 3 of the License, or (at your option) any later
+# version.
+#
+# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
+# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
+# details.
+#
+# You should have received a copy of the GNU General Public License along with
+# TRIQS. If not, see .
+#
+################################################################################
+
+"""
+Collinear SrVO3 tests: one correlated site and uncorrelated orbitals, one impurity
+"""
+
+from triqs_dft_tools.converters import Wannier90Converter
+from triqs.utility import h5diff
+from triqs.utility import mpi
+
+subfolder = 'w90_convert/'
+
+# bloch_basis False and add_lambda
+seedname = subfolder+'SrVO3_t2g_col'
+converter = Wannier90Converter(seedname=seedname, hdf_filename=seedname+'_lambda.out.h5',
+ rot_mat_type='wannier', bloch_basis=False, add_lambda=(.3, .3, .3))
+converter.convert_dft_input()
+
+if mpi.is_master_node():
+ h5diff.h5diff(seedname+'_lambda.out.h5', seedname+'_lambda.ref.h5')