mirror of https://gitlab.com/QEF/q-e.git
fbf3b30296
Modifications made to match the EPW paper. In particular: 1) The matrix multiplication is reversed (see Eq. 25 of the EPW paper). No effect on cubic materials 2) The population check is now tested for each direction independently instead of the sum. See text in Section 2 on Computational considerations. 3) We fixed an error in the priting of the mobility tensor where we incorrectly printed the transpose. Now the Hall mobility tensor should be general (beyond cubic) and posses the correct signs depending on their nature (electron or hole). |
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| .. | ||
| Ga-LDA.upf | ||
| MGA.txt | ||
| N-LDA.upf | ||
| benchmark.out.git.inp=epw1.in.args=3 | ||
| benchmark.out.git.inp=epw2.in.args=3 | ||
| benchmark.out.git.inp=epw3.in.args=5 | ||
| benchmark.out.git.inp=nscf.in.args=1 | ||
| benchmark.out.git.inp=ph.in.args=2 | ||
| benchmark.out.git.inp=scf.in.args=1 | ||
| epw1.in | ||
| epw2.in | ||
| epw3.in | ||
| nscf.in | ||
| ph.in | ||
| pp.in | ||
| scf.in | ||