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Update bin/init_dmftpr

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Co-authored-by: Hermann Schnait <42941106+hschnait@users.noreply.github.com>
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Harry LaBollita 2021-11-03 11:28:36 -07:00 committed by Alexander Hampel
parent 0c4c63f917
commit 0d25d7eb15
1 changed files with 1 additions and 1 deletions
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bin/init_dmftpr
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@ -75,7 +75,7 @@ def write_indmftpr():
soc=input("Do you want to include soc? (y/n)\n") soc=input("Do you want to include soc? (y/n)\n")
if soc == "y": if soc == "y":
if irrep == "t2g" or irrep == "eg": if proj=="d" and ( irrep == "t2g" or irrep == "eg" ):
print("Warning: For SOC, dmftproj will use the entire d-shell. Using entire d-shell!") print("Warning: For SOC, dmftproj will use the entire d-shell. Using entire d-shell!")
out.write("0 0 0 0\n") out.write("0 0 0 0\n")
out.write("1\n") out.write("1\n")