quantum-espresso/examples/example35
dalcorso edd9d8d76a Not all pseudopotential names were changed correctly in this script.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5150 c92efa57-630b-4861-b058-cf58834340f0
2008-08-29 13:32:41 +00:00
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reference Examples updated (but not verified) 2008-04-29 10:40:04 +00:00
README Dielectric constant and effective charges in the noncollinear spin/orbit 2007-10-08 16:17:11 +00:00
run_example Not all pseudopotential names were changed correctly in this script. 2008-08-29 13:32:41 +00:00

README

This example tests pw.x and ph.x for the effective charges and
dielectric constants with the noncollinear or the spin-orbit part of the 
code.

The calculation proceeds as follows:

1) make a self-consistent calculation for Si 
   (input=si.scf.in, output=si.scf.out).

2) make a phonon calculation at the Gamma point (input=si.phG.in,
   output=si.phG.out).

3) make a self-consistent calculation for C
   (input=c.scf.in, output=c.scf.out).

4) make a phonon calculation at the Gamma point (input=c.phG.in,
   output=c.phG.out).