From 87523ef2310b6a189bf14bb66be3404710d1d8cb Mon Sep 17 00:00:00 2001 From: Priyanka Seth Date: Tue, 14 Apr 2015 18:19:59 +0200 Subject: [PATCH] Fixed bug in cal_density_correction --- python/sumk_dft.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/sumk_dft.py b/python/sumk_dft.py index b12c8c34..a2cf6f2e 100644 --- a/python/sumk_dft.py +++ b/python/sumk_dft.py @@ -839,7 +839,7 @@ class SumkDFT: fout.write("%s\n"%self.n_orbitals[ik,isp]) for inu in range(self.n_orbitals[ik,isp]): for imu in range(self.n_orbitals[ik,isp]): - fout.write("%.14f %.14f "%(deltaN[bn][ik][inu,imu].real,deltaN[bn][ik][inu,imu].imag)) + fout.write("%.14f %.14f "%(deltaN[sp][ik][inu,imu].real,deltaN[sp][ik][inu,imu].imag)) fout.write("\n") fout.write("\n") fout.close()