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quantum-espresso/KCW/examples/example05.1/nspin4_noSOC_MAG/0_dft
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Antimo Marrazzo 76f93d5f51 Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
..
README.md Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
bands.in Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
bands.pwi Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
clean.sh Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
plot_bands.gnu Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
run.sh Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00
scf.pwi Non-collinear Koopmans-Wannier functionals (KCW) 2024-08-13 09:06:28 +00:00

README.md

Run the calculations in the following way:

pw.x < scf.pwi | tee scf.pwo

pw.x < bands.pwi | tee bands.pwo

bands.x < bands.in | tee bands.out

gnuplot plot_bands.gnu