mirror of https://gitlab.com/QEF/q-e.git
![]() officially deprecated but there were several tests and examples using them |
||
---|---|---|
.. | ||
reference | ||
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).