From d00575632c4c0aa0fd2ca6f09cbab25f7cd275a3 Mon Sep 17 00:00:00 2001 From: "Gernot J. Kraberger" Date: Tue, 24 Oct 2017 09:49:54 +0200 Subject: [PATCH] Fix default value of filename in calc_density_correction --- python/sumk_dft.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/python/sumk_dft.py b/python/sumk_dft.py index b315f08c..2f2be85f 100644 --- a/python/sumk_dft.py +++ b/python/sumk_dft.py @@ -1362,15 +1362,15 @@ class SumkDFT(object): """ assert dm_type in ('vasp', 'wien2k'), "'dm_type' must be either 'vasp' or 'wienk'" - assert type(filename) == StringType, ("calc_density_correction: " - "filename has to be a string!") - if filename is None: if dm_type == 'wien2k': filename = 'dens_mat.dat' elif dm_type == 'vasp': filename = 'GAMMA' - + + assert type(filename) == StringType, ("calc_density_correction: " + "filename has to be a string!") + ntoi = self.spin_names_to_ind[self.SO] spn = self.spin_block_names[self.SO] dens = {sp: 0.0 for sp in spn}