quantum-espresso/PHonon/examples/example09
Paolo Giannozzi 121edf52c8 [Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are
officially deprecated but there were several tests and examples using them
2019-02-23 22:45:29 +01:00
..
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 [Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are 2019-02-23 22:45:29 +01:00

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).