diff --git a/python/converters/plovasp/proj_shell.py b/python/converters/plovasp/proj_shell.py index d1280a33..6058c11c 100644 --- a/python/converters/plovasp/proj_shell.py +++ b/python/converters/plovasp/proj_shell.py @@ -409,7 +409,7 @@ class ProjectorShell: for ib, eigk in enumerate(el_struct.eigvals[:, self.ib_min:self.ib_max+1, isp].T): for ie, e in enumerate(emesh): eigk_ef = eigk - el_struct.efermi - cti = atm.dos_weights_3d(eigk_ef, e, itt) + cti = atm.dos_tetra_weights_3d(eigk_ef, e, itt) for im in xrange(nlm): for io in xrange(nion): dos[ie, isp, io, im] += np.sum((cti * w_k[itt[1:, :], ib, isp, io, im].real).sum(0) * itt[0, :])