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changed fermi weights from np array complex to float in accordance with h5 structure

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This commit is contained in:
Alexander Hampel 2020-11-24 16:35:27 -05:00
parent fc2ce66238
commit 93cf096932
1 changed files with 1 additions and 1 deletions
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python/triqs_dft_tools/converters/vasp.py
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@ -280,7 +280,7 @@ class VaspConverter(ConverterTools):
# raise NotImplementedError("Noncollinear calculations are not implemented") # raise NotImplementedError("Noncollinear calculations are not implemented")
# else: # else:
hopping = numpy.zeros([n_k, n_spin_blocs, nb_max, nb_max], numpy.complex_) hopping = numpy.zeros([n_k, n_spin_blocs, nb_max, nb_max], numpy.complex_)
f_weights = numpy.zeros([n_k, n_spin_blocs, nb_max], numpy.complex_) f_weights = numpy.zeros([n_k, n_spin_blocs, nb_max], numpy.float_)
band_window = [numpy.zeros((n_k, 2), dtype=int) for isp in range(n_spin_blocs)] band_window = [numpy.zeros((n_k, 2), dtype=int) for isp in range(n_spin_blocs)]
n_orbitals = numpy.zeros([n_k, n_spin_blocs], numpy.int) n_orbitals = numpy.zeros([n_k, n_spin_blocs], numpy.int)