From 8590b1d47a36a8500b4801fd5bc1a56bc163f58a Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Tue, 3 Oct 2023 12:45:59 -0500 Subject: [PATCH] fix array handling for single kpt --- bin/qp_convert_h5_to_ezfio | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bin/qp_convert_h5_to_ezfio b/bin/qp_convert_h5_to_ezfio index 3967edc0..1f708a26 100755 --- a/bin/qp_convert_h5_to_ezfio +++ b/bin/qp_convert_h5_to_ezfio @@ -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