Index of /espresso_v6.1/i386_ubuntu1404/qe-6.1/Examples/PHonon/example09

      Name                    Last modified       Size  Description

[DIR] Parent Directory 03-Mar-2017 02:09 - [DIR] 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).