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fix array handling for single kpt

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This commit is contained in:
Kevin Gasperich 2023-10-03 12:45:59 -05:00
parent 016494e4d8
commit 8590b1d47a
1 changed files with 1 additions and 1 deletions
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2
bin/qp_convert_h5_to_ezfio
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@ -135,7 +135,7 @@ def make_reim_identity_kblocks(nk,nm,na=None):
def make_reim_identity_block_diag(nk,nm,na=None):
from scipy.linalg import block_diag
kblocks = make_reim_identity_kblocks(nk,nm,na).view(dtype=np.complex128).squeeze()
kblocks = make_reim_identity_kblocks(nk,nm,na).view(dtype=np.complex128).squeeze(axis=3)
kblockdiag = block_diag(*kblocks).view(dtype=np.float64).reshape((nk*nm,nk*na,2))
print(f'kblockdiag.shape = {kblockdiag.shape}')
return kblockdiag