quantum-espresso/examples/example33
giannozz 999186ecc1 More of the same
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5096 c92efa57-630b-4861-b058-cf58834340f0
2008-07-31 17:04:47 +00:00
..
reference Examples updated (but not verified) 2008-04-29 10:40:04 +00:00
README Calculation of finite (imaginary) frequency polarizability added. 2006-03-30 09:43:38 +00:00
run_example More of the same 2008-07-31 17:04:47 +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).