mirror of https://gitlab.com/QEF/q-e.git
6148f5e5c5
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. |
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| README | ||
| run_example | ||
README
This example illustrates how to use pw.x and ph.x to calculate dynamic polarizability of methane molecules (experiment stage) The calculation proceeds as follows 1) make a self-consistent calculation (input=ch4.scf.in, output=ch4.scf.out) 2) make a (imaginary) frequency dependent polarizability calculation (input=ch4.fpol.in, output=ch4.fpol.out).