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 | ||
run_example |
README
This example shows how to use cp.x together with pw.x to perform an electronic minimization at Gamma for SiO2. Note that - it works only for Gamma point, of course - it is no longer needed to set "wf_collect" to .t. - the number of bands should be the same for CP and PW - "prefix" for pw.x = "prefix"_"ndr" or "prefix_ndw" for cp.x