From 63eb4c20899fcef59ef4450cfdf49d3777e690d0 Mon Sep 17 00:00:00 2001 From: "Oleg E. Peil" Date: Tue, 10 Nov 2015 14:09:40 +0100 Subject: [PATCH] Fixed a bug in 'density_of_states()' Fixed the wrong index order in 'w_k' inside the loop evaluating DOS. --- python/vasp/plotools.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/vasp/plotools.py b/python/vasp/plotools.py index 81bc0a1d..f0ad76cd 100644 --- a/python/vasp/plotools.py +++ b/python/vasp/plotools.py @@ -441,7 +441,7 @@ class ProjectorShell: ib = ib_g - ib1 ibn = ib_g - self.ib_min 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 itt = el_struct.kmesh['itet'].T