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Fix bug in writing of qdmft file

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This commit is contained in:
Manuel Zingl 2017-10-16 10:12:32 +02:00
parent fff9e36354
commit 3f7b9f6843
1 changed files with 1 additions and 0 deletions
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python/sumk_dft.py
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@ -1478,6 +1478,7 @@ class SumkDFT(object):
for imu in range(self.n_orbitals[ik, isp]): for imu in range(self.n_orbitals[ik, isp]):
fout.write("%.14f %.14f " % (deltaN[sp][ik][ fout.write("%.14f %.14f " % (deltaN[sp][ik][
inu, imu].real, deltaN[sp][ik][inu, imu].imag)) inu, imu].real, deltaN[sp][ik][inu, imu].imag))
fout.write("\n")
fout.write("\n") fout.write("\n")
fout.close() fout.close()
elif dm_type == 'vasp': elif dm_type == 'vasp':