quantum-espresso/PHonon/examples/example09
pietrodelugas 2db25e7414 update of reference data for PHonon examples
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13288 c92efa57-630b-4861-b058-cf58834340f0
2017-02-07 14:07:15 +00:00
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reference update of reference data for PHonon examples 2017-02-07 14:07:15 +00:00
README PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon 2011-09-21 13:43:24 +00:00
run_example Cleanup of the phonon examples 07 08 09 10 11 updated. 2014-02-05 16:49:14 +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).