Index of /espresso_v6.1/i386_ubuntu1404/qe-6.1/Examples/PHonon/example09
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
reference/ 03-Mar-2017 01:46 -
run_example 03-Mar-2017 01:46 3k
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).