mirror of https://gitlab.com/QEF/q-e.git
|
…
|
||
|---|---|---|
| .. | ||
| reference | ||
| README | ||
| run_example | ||
README
This example tests pw.x and ph.x for the noncollinear/spin-orbit case and PAW. The calculation proceeds as follows: 1) make a self-consistent calculation for bcc-Fe (input=Fe.scf_pbe.in, output=Fe.scf_pbe.out). 2) make a band calculation for bcc-Fe (input=Fe.band_pbe.in, output=Fe.band_pbe.out).