mirror of https://gitlab.com/QEF/q-e.git
![]() See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script Note: some trailing blanks have been removed as well by the script I used. Use "git diff -b" to see only the true changes. |
||
---|---|---|
.. | ||
reference | ||
README | ||
projwfc_to_bands.awk | ||
run_example |
README
This example shows how to produce "fat bands", that is, bands containing information on atomic projections, using three different approaches: 1. As a color map of the k-resolved DOS. Magnetic Ni is used as example. 2. Using files containing the atomic projections produced by projwfc.x. Relativistic Pt is used as example. 3. Directly processing the standard output of projwfc.x: requires a script, "projwfc_to_bands.awk", in this same directory. Example: silicene. Courtesy of Guido Fratesi, University of Milano-Bicocca