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Updated vasp cRPA parsers to triqs 3.2.x
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YannIntVeld committed Apr 23, 2024
1 parent 7395ad1 commit e86c070
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions python/triqs_tprf/vasp_crpa_parsers.py
Original file line number Diff line number Diff line change
Expand Up @@ -79,12 +79,12 @@ def convert_from_ndarray_to_triqs(U_Q, Q, units, orbital_positions, kpts):

bl = BravaisLattice(units, orbital_positions)
bz = BrillouinZone(bl)
bzmesh = MeshBrZone(bz, np.diag(np.array(kpts, dtype=np.int32)))
bzmesh = MeshBrZone(bz, np.array(kpts, dtype=np.int32))

u_q = Gf(mesh=bzmesh, target_shape=U_Q.shape[1:])

H = TBLattice(units=units, hopping={}, orbital_positions=orbital_positions)
kunits = H.bz.units()
kunits = H.bz.units

# note: np.rint() absolutely imporant to have correct
# rounding behaviour
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