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Fixed function name that has been changed in atm-lib

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This commit is contained in:
Oleg E. Peil 2016-08-09 13:15:24 +02:00
parent 4d69dfd3ae
commit 1fa0ab67b0
1 changed files with 1 additions and 1 deletions
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python/converters/plovasp/proj_shell.py
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@ -409,7 +409,7 @@ class ProjectorShell:
for ib, eigk in enumerate(el_struct.eigvals[:, self.ib_min:self.ib_max+1, isp].T): for ib, eigk in enumerate(el_struct.eigvals[:, self.ib_min:self.ib_max+1, isp].T):
for ie, e in enumerate(emesh): for ie, e in enumerate(emesh):
eigk_ef = eigk - el_struct.efermi 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 im in xrange(nlm):
for io in xrange(nion): 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, :]) dos[ie, isp, io, im] += np.sum((cti * w_k[itt[1:, :], ib, isp, io, im].real).sum(0) * itt[0, :])