LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
Code Issues Releases Wiki Activity

Fix bug in writing of qdmft file

Browse Source
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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
python/sumk_dft.py
View File

@ -1479,6 +1479,7 @@ class SumkDFT(object):
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':
assert self.SP == 0, "Spin-polarized density matrix is not implemented" assert self.SP == 0, "Spin-polarized density matrix is not implemented"