diff --git a/TB2J/Jdownfolder.py b/TB2J/Jdownfolder.py index 07961e9..c77631e 100644 --- a/TB2J/Jdownfolder.py +++ b/TB2J/Jdownfolder.py @@ -59,7 +59,7 @@ def get_JR(self): for iR, R in enumerate(self.Rlist): phase = np.exp(-2.0j * np.pi * np.dot(q, R)) JR_downfolded[iR] += np.real(Jq_downfolded[iq] * phase / self.nqpt) - return JR_downfolded + return JR_downfolded, self.Rlist def downfold_oneq(self, J): JMM = J[np.ix_(self.iMn, self.iMn)] @@ -120,7 +120,6 @@ def __init__(self, JR, Rlist, iM, iL, qmesh, atoms=None, iso_only=False, **kwarg ) self.JR_downfolded = ewf.HwannR self.Rlist = ewf.Rlist - print("downfolded JR shape", self.JR_downfolded.shape) def get_JR(self): return self.JR_downfolded, self.Rlist