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Update bin/init_dmftpr
Co-authored-by: Hermann Schnait <42941106+hschnait@users.noreply.github.com>
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@ -65,15 +65,13 @@ def write_indmftpr():
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for p in non_corr: projectors += array(orbitals[p])
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for p in non_corr: projectors += array(orbitals[p])
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out.write(" ".join(list(map(str, projectors)))+"\n")
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out.write(" ".join(list(map(str, projectors)))+"\n")
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break
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break
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to_write = "0 0 0 0\n"
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if proj == "d":
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if proj == "d":
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irrep=input("Split this orbital into it's irreps? (t2g/eg/n)\n")
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irrep=input("Split this orbital into it's irreps? (t2g/eg/n)\n")
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to_write=""
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if irrep == "t2g":
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if irrep == "t2g":
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to_write += "0 0 2 0\n01\n"
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to_write = "0 0 2 0\n01\n"
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elif irrep == "eg":
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elif irrep == "eg":
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to_write += "0 0 2 0\n10\n"
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to_write = "0 0 2 0\n10\n"
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else:
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to_write += "0 0 0 0\n"
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soc=input("Do you want to include soc? (y/n)\n")
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soc=input("Do you want to include soc? (y/n)\n")
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if soc == "y":
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if soc == "y":
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