diff --git a/src/nomad_simulations/properties/band_structure.py b/src/nomad_simulations/properties/band_structure.py index d911f8a0..4e35ab49 100644 --- a/src/nomad_simulations/properties/band_structure.py +++ b/src/nomad_simulations/properties/band_structure.py @@ -59,7 +59,7 @@ def __init__( ) -> None: super().__init__(m_def, m_context, **kwargs) # ! `n_bands` need to be set up during initialization of the class - self.rank = [kwargs.get('n_bands')] + self.rank = [int(kwargs.get('n_bands'))] def normalize(self, archive, logger) -> None: super().normalize(archive, logger) diff --git a/src/nomad_simulations/properties/fermi_surface.py b/src/nomad_simulations/properties/fermi_surface.py index b8ce7972..5d8392b2 100644 --- a/src/nomad_simulations/properties/fermi_surface.py +++ b/src/nomad_simulations/properties/fermi_surface.py @@ -45,7 +45,7 @@ def __init__( ) -> None: super().__init__(m_def, m_context, **kwargs) # ! `n_bands` need to be set up during initialization of the class - self.rank = [kwargs.get('n_bands')] + self.rank = [int(kwargs.get('n_bands'))] self.name = self.m_def.name def normalize(self, archive, logger) -> None: diff --git a/src/nomad_simulations/properties/hopping_matrix.py b/src/nomad_simulations/properties/hopping_matrix.py index 2ea16313..7eb6713d 100644 --- a/src/nomad_simulations/properties/hopping_matrix.py +++ b/src/nomad_simulations/properties/hopping_matrix.py @@ -60,7 +60,7 @@ def __init__( ) -> None: super().__init__(m_def, m_context, **kwargs) # ! n_orbitals need to be set up during initialization of the class - self.rank = [kwargs.get('n_orbitals'), kwargs.get('n_orbitals')] + self.rank = [int(kwargs.get('n_orbitals')), int(kwargs.get('n_orbitals'))] self.name = self.m_def.name # TODO add normalization to extract DOS, band structure, etc, properties from `HoppingMatrix` @@ -97,7 +97,7 @@ def __init__( ) -> None: super().__init__(m_def, m_context, **kwargs) # ! `n_orbitals` need to be set up during initialization of the class - self.rank = [kwargs.get('n_orbitals')] + self.rank = [int(kwargs.get('n_orbitals'))] self.name = self.m_def.name def normalize(self, archive, logger) -> None: