updating materials for day 1

ENCCS · Mar 18, 2024 · 35eb728 · 35eb728
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diff --git a/Day-1/Handson-Day1.pdf → content/Day-1/Handson-Day1.pdf b/Day-1/Handson-Day1.pdf → content/Day-1/Handson-Day1.pdf
diff --git a/Day-1/Intro_QE_ENCCS-MaX_School_2024.pdf → .../Day-1/Intro_QE_ENCCS-MaX_School_2024.pdf b/Day-1/Intro_QE_ENCCS-MaX_School_2024.pdf → .../Day-1/Intro_QE_ENCCS-MaX_School_2024.pdf
diff --git a/Day-1/environment-cpu.sh → content/Day-1/environment-cpu.sh b/Day-1/environment-cpu.sh → content/Day-1/environment-cpu.sh
diff --git a/Day-1/ex0-run/README.md → content/Day-1/ex0-run/README.md b/Day-1/ex0-run/README.md → content/Day-1/ex0-run/README.md
diff --git a/Day-1/ex0-run/ex0-run.slurm → content/Day-1/ex0-run/ex0-run.slurm b/Day-1/ex0-run/ex0-run.slurm → content/Day-1/ex0-run/ex0-run.slurm
diff --git a/Day-1/ex0-run/reference/atom-pbe.out → content/Day-1/ex0-run/reference/atom-pbe.out b/Day-1/ex0-run/reference/atom-pbe.out → content/Day-1/ex0-run/reference/atom-pbe.out
diff --git a/Day-1/ex0-run/reference/ex0-run.slurm → ...ent/Day-1/ex0-run/reference/ex0-run.slurm b/Day-1/ex0-run/reference/ex0-run.slurm → ...ent/Day-1/ex0-run/reference/ex0-run.slurm
diff --git a/Day-1/ex1-pools/README.md → content/Day-1/ex1-pools/README.md b/Day-1/ex1-pools/README.md → content/Day-1/ex1-pools/README.md
diff --git a/Day-1/ex1-pools/ex1-pools.slurm → content/Day-1/ex1-pools/ex1-pools.slurm b/Day-1/ex1-pools/ex1-pools.slurm → content/Day-1/ex1-pools/ex1-pools.slurm
diff --git a/Day-1/ex1-pools/reference/ex1-pools.slurm → ...Day-1/ex1-pools/reference/ex1-pools.slurm b/Day-1/ex1-pools/reference/ex1-pools.slurm → ...Day-1/ex1-pools/reference/ex1-pools.slurm
diff --git a/Day-1/ex1-pools/reference/pw_CuO.out → content/Day-1/ex1-pools/reference/pw_CuO.out b/Day-1/ex1-pools/reference/pw_CuO.out → content/Day-1/ex1-pools/reference/pw_CuO.out
diff --git a/Day-1/ex2-diag/README.md → content/Day-1/ex2-diag/README.md b/Day-1/ex2-diag/README.md → content/Day-1/ex2-diag/README.md
diff --git a/Day-1/ex2-diag/ex2-diag.slurm → content/Day-1/ex2-diag/ex2-diag.slurm b/Day-1/ex2-diag/ex2-diag.slurm → content/Day-1/ex2-diag/ex2-diag.slurm
diff --git a/Day-1/ex2-diag/reference/ex2-diag.slurm → ...t/Day-1/ex2-diag/reference/ex2-diag.slurm b/Day-1/ex2-diag/reference/ex2-diag.slurm → ...t/Day-1/ex2-diag/reference/ex2-diag.slurm
diff --git a/Day-1/ex2-diag/reference/pw_CuO_4diag.out → ...Day-1/ex2-diag/reference/pw_CuO_4diag.out b/Day-1/ex2-diag/reference/pw_CuO_4diag.out → ...Day-1/ex2-diag/reference/pw_CuO_4diag.out
diff --git a/Day-1/ex3-omp/README.md → content/Day-1/ex3-omp/README.md b/Day-1/ex3-omp/README.md → content/Day-1/ex3-omp/README.md
diff --git a/Day-1/ex3-omp/ex3-omp.slurm → content/Day-1/ex3-omp/ex3-omp.slurm b/Day-1/ex3-omp/ex3-omp.slurm → content/Day-1/ex3-omp/ex3-omp.slurm
diff --git a/Day-1/ex3-omp/reference/ex3-omp.slurm → ...ent/Day-1/ex3-omp/reference/ex3-omp.slurm b/Day-1/ex3-omp/reference/ex3-omp.slurm → ...ent/Day-1/ex3-omp/reference/ex3-omp.slurm
diff --git a/Day-1/ex3-omp/reference/pw_run16mpix2omp.out → ...-1/ex3-omp/reference/pw_run16mpix2omp.out b/Day-1/ex3-omp/reference/pw_run16mpix2omp.out → ...-1/ex3-omp/reference/pw_run16mpix2omp.out
diff --git a/Day-1/ex3-omp/reference/pw_run4mpix8omp.out → ...y-1/ex3-omp/reference/pw_run4mpix8omp.out b/Day-1/ex3-omp/reference/pw_run4mpix8omp.out → ...y-1/ex3-omp/reference/pw_run4mpix8omp.out
diff --git a/Day-1/ex3-omp/reference/pw_run8mpix4omp.out → ...y-1/ex3-omp/reference/pw_run8mpix4omp.out b/Day-1/ex3-omp/reference/pw_run8mpix4omp.out → ...y-1/ex3-omp/reference/pw_run8mpix4omp.out
diff --git a/Day-1/ex4-gpu/README.md → content/Day-1/ex4-gpu/README.md b/Day-1/ex4-gpu/README.md → content/Day-1/ex4-gpu/README.md
diff --git a/Day-1/ex4-gpu/ex4-cpu.slurm → content/Day-1/ex4-gpu/ex4-cpu.slurm b/Day-1/ex4-gpu/ex4-cpu.slurm → content/Day-1/ex4-gpu/ex4-cpu.slurm
diff --git a/Day-1/ex4-gpu/ex4-gpu.slurm → content/Day-1/ex4-gpu/ex4-gpu.slurm b/Day-1/ex4-gpu/ex4-gpu.slurm → content/Day-1/ex4-gpu/ex4-gpu.slurm
diff --git a/Day-1/ex4-gpu/reference/ex4-cpu.slurm → ...ent/Day-1/ex4-gpu/reference/ex4-cpu.slurm b/Day-1/ex4-gpu/reference/ex4-cpu.slurm → ...ent/Day-1/ex4-gpu/reference/ex4-cpu.slurm
diff --git a/Day-1/ex4-gpu/reference/ex4-gpu.slurm → ...ent/Day-1/ex4-gpu/reference/ex4-gpu.slurm b/Day-1/ex4-gpu/reference/ex4-gpu.slurm → ...ent/Day-1/ex4-gpu/reference/ex4-gpu.slurm
diff --git a/Day-1/ex4-gpu/reference/pw.CnSnI3.cpu.out → ...Day-1/ex4-gpu/reference/pw.CnSnI3.cpu.out b/Day-1/ex4-gpu/reference/pw.CnSnI3.cpu.out → ...Day-1/ex4-gpu/reference/pw.CnSnI3.cpu.out
diff --git a/Day-1/ex4-gpu/reference/pw.CnSnI3.gpu.out → ...Day-1/ex4-gpu/reference/pw.CnSnI3.gpu.out b/Day-1/ex4-gpu/reference/pw.CnSnI3.gpu.out → ...Day-1/ex4-gpu/reference/pw.CnSnI3.gpu.out
diff --git a/Day-1/inputs/atom-pbe.in → content/Day-1/inputs/atom-pbe.in b/Day-1/inputs/atom-pbe.in → content/Day-1/inputs/atom-pbe.in
diff --git a/Day-1/inputs/pw.CnSnI3.in → content/Day-1/inputs/pw.CnSnI3.in b/Day-1/inputs/pw.CnSnI3.in → content/Day-1/inputs/pw.CnSnI3.in
diff --git a/Day-1/inputs/pw.CuO.scf.in → content/Day-1/inputs/pw.CuO.scf.in b/Day-1/inputs/pw.CuO.scf.in → content/Day-1/inputs/pw.CuO.scf.in
diff --git a/pseudo/Cs-nc-pbesol.upf → content/Day-1/pseudo/Cs-nc-pbesol.upf b/pseudo/Cs-nc-pbesol.upf → content/Day-1/pseudo/Cs-nc-pbesol.upf
diff --git a/pseudo/Fe.pz-n-nc.UPF → content/Day-1/pseudo/Fe.pz-n-nc.UPF b/pseudo/Fe.pz-n-nc.UPF → content/Day-1/pseudo/Fe.pz-n-nc.UPF
diff --git a/pseudo/I-nc-pbesol.upf → content/Day-1/pseudo/I-nc-pbesol.upf b/pseudo/I-nc-pbesol.upf → content/Day-1/pseudo/I-nc-pbesol.upf
diff --git a/pseudo/Si.upf → content/Day-1/pseudo/Si.upf b/pseudo/Si.upf → content/Day-1/pseudo/Si.upf
diff --git a/pseudo/Sn-nc-pbesol.upf → content/Day-1/pseudo/Sn-nc-pbesol.upf b/pseudo/Sn-nc-pbesol.upf → content/Day-1/pseudo/Sn-nc-pbesol.upf
diff --git a/pseudo/cu_pbe_v1.2.uspp.F.UPF → content/Day-1/pseudo/cu_pbe_v1.2.uspp.F.UPF b/pseudo/cu_pbe_v1.2.uspp.F.UPF → content/Day-1/pseudo/cu_pbe_v1.2.uspp.F.UPF
diff --git a/pseudo/o_pbe_v1.2.uspp.F.UPF → content/Day-1/pseudo/o_pbe_v1.2.uspp.F.UPF b/pseudo/o_pbe_v1.2.uspp.F.UPF → content/Day-1/pseudo/o_pbe_v1.2.uspp.F.UPF