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Fixed a bug in 'density_of_states()'

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Fixed the wrong index order in 'w_k' inside the loop evaluating
DOS.
This commit is contained in:
Oleg E. Peil 2015-11-10 14:09:40 +01:00
parent d3dd546cee
commit 63eb4c2089
1 changed files with 1 additions and 1 deletions
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python/vasp/plotools.py
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@ -441,7 +441,7 @@ class ProjectorShell:
ib = ib_g - ib1 ib = ib_g - ib1
ibn = ib_g - self.ib_min ibn = ib_g - self.ib_min
proj_k = self.proj_win[io, isp, ik, :, ib] proj_k = self.proj_win[io, isp, ik, :, ib]
w_k[ik, ib, io, :] = proj_k * proj_k.conj() w_k[ik, ib, isp, io, :] = proj_k * proj_k.conj()
# eigv_ef = el_struct.eigvals[ik, ib, isp] - el_struct.efermi # eigv_ef = el_struct.eigvals[ik, ib, isp] - el_struct.efermi
itt = el_struct.kmesh['itet'].T itt = el_struct.kmesh['itet'].T