mirror of https://gitlab.com/QEF/q-e.git
43b59289ed
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|---|---|---|
| .. | ||
| .gitignore | ||
| README.md | ||
| ahc1.in | ||
| ahc2.in | ||
| benchmark.out.git.inp=ahc1.in.args=7 | ||
| benchmark.out.git.inp=ahc2.in.args=7 | ||
| benchmark.out.git.inp=epw11.in.args=3 | ||
| benchmark.out.git.inp=epw12.in.args=3 | ||
| benchmark.out.git.inp=epw21.in.args=3 | ||
| benchmark.out.git.inp=epw22.in.args=3 | ||
| benchmark.out.git.inp=epw23.in.args=3 | ||
| benchmark.out.git.inp=matdyn.in.args=6 | ||
| benchmark.out.git.inp=nscf1.in.args=1 | ||
| benchmark.out.git.inp=nscf2.in.args=1 | ||
| benchmark.out.git.inp=ph.in.args=2 | ||
| benchmark.out.git.inp=q2r.in.args=4 | ||
| benchmark.out.git.inp=scf.in.args=1 | ||
| epw11.in | ||
| epw12.in | ||
| epw21.in | ||
| epw22.in | ||
| epw23.in | ||
| kpath.GammaX.txt | ||
| matdyn.in | ||
| nscf1.in | ||
| nscf2.in | ||
| ph.in | ||
| postahc1.in | ||
| postahc2.in | ||
| pp.in | ||
| q2r.in | ||
| scf.in | ||
README.md
Common setup
- scf.in, ph.in, q2r.in, matdyn.in, scf.in
Testset 1: 4 bands (valence only)
- nscf1.in, ahc1.in, epw11.in, epw12.in
Testset 2: 8 bands (valence + conduction)
- Set ahc_win_max to a finite value, use bands_skipped, use disentanglement
- nscf2.in, ahc2.in, epw21.in, epw22.in