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Added an example to illustrate the use of images in ph.x.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9253 c92efa57-630b-4861-b058-cf58834340f0
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dalcorso committed Aug 5, 2012
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22 changes: 22 additions & 0 deletions PHonon/examples/Image_example/README
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This example tests the use of images in ph.x. It computes the phonon
dispersions of AlAs as in example02.

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.


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