quantum-espresso/examples/example33
giannozz b7ce3b7f77 Examples updated - please verify if everything is good
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3520 c92efa57-630b-4861-b058-cf58834340f0
2006-11-08 09:12:57 +00:00
..
reference Examples updated - please verify if everything is good 2006-11-08 09:12:57 +00:00
README Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
run_example Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00

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).