Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/PHonon/Image_example

      Name                    Last modified       Size  Description

[DIR] Parent Directory 03-Mar-2017 02:09 - [   ] run_example_1 03-Mar-2017 01:46 7k [   ] run_example 03-Mar-2017 01:46 6k [DIR] reference_1/ 03-Mar-2017 01:46 - [DIR] reference/ 03-Mar-2017 01:46 -

This example tests the use of images in ph.x. It computes the phonon 
dispersions of AlAs as in example02 and the dispersions of Al as in example14.

NB: This example requires PARA_IMAGE_PREFIX and PARA_IMAGE_POSTFIX to be
set in environment_variables file. The image calculation must run with
a number of processors equal to the number of images multiplied by the number
of processors used in the pw.x run.

The calculation (run_example) proceeds as follows:

1) make a self-consistent calculation for AlAs without images
   (input=alas.scf.in, output=alas.scf.out).

2) make a phonon dispersion calculation with images. Each image calculates
   a part of the q points and of the irreducible representations.
   (input=alas.ph.in, output=alas.ph.out, out_1_0, ..., out_N_1, N is
    the number of images).

3) make a phonon dispersion calculation without images recovering the
   information from outdir/_ph0/{prefix}.phsave. This is a fast calculation
   where the dynamical matrices are collected, diagonalized, and written 
   on the working directory.
   (input=alas.ph.in1, output=alas.ph.out1).

4) The rest proceeds as in example02.


Similarly for example14. The two phonon calculations are done using
the image features and then collected.