From 0c4c63f9179110a418c6caa4d2335386ba02510b Mon Sep 17 00:00:00 2001 From: Harry LaBollita <40074811+harrisonlabollita@users.noreply.github.com> Date: Wed, 3 Nov 2021 11:28:28 -0700 Subject: [PATCH] Update bin/init_dmftpr Co-authored-by: Hermann Schnait <42941106+hschnait@users.noreply.github.com> --- bin/init_dmftpr | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/bin/init_dmftpr b/bin/init_dmftpr index 236f8709..5ed6acf9 100755 --- a/bin/init_dmftpr +++ b/bin/init_dmftpr @@ -65,15 +65,13 @@ def write_indmftpr(): for p in non_corr: projectors += array(orbitals[p]) out.write(" ".join(list(map(str, projectors)))+"\n") break + to_write = "0 0 0 0\n" if proj == "d": irrep=input("Split this orbital into it's irreps? (t2g/eg/n)\n") - to_write="" if irrep == "t2g": - to_write += "0 0 2 0\n01\n" + to_write = "0 0 2 0\n01\n" elif irrep == "eg": - to_write += "0 0 2 0\n10\n" - else: - to_write += "0 0 0 0\n" + to_write = "0 0 2 0\n10\n" soc=input("Do you want to include soc? (y/n)\n") if soc == "y":