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Fixed bug in cal_density_correction

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This commit is contained in:
Priyanka Seth 2015-04-14 18:19:59 +02:00
parent b42a51fe17
commit 87523ef231
1 changed files with 1 additions and 1 deletions
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2
python/sumk_dft.py
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@ -839,7 +839,7 @@ class SumkDFT:
fout.write("%s\n"%self.n_orbitals[ik,isp]) fout.write("%s\n"%self.n_orbitals[ik,isp])
for inu in range(self.n_orbitals[ik,isp]): for inu in range(self.n_orbitals[ik,isp]):
for imu 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.write("\n") fout.write("\n")
fout.close() fout.close()