quantum-espresso/PP/examples/example04
pietrodelugas c87c0f5c91 updated examples for post-processing
work function example needs some more revision 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13291 c92efa57-630b-4861-b058-cf58834340f0
2017-02-08 10:45:16 +00:00
..
reference updated examples for post-processing 2017-02-08 10:45:16 +00:00
README example_vwdDF moved to PW/examples/example_vwdDF 2012-01-09 15:27:30 +00:00
run_example updated examples for post-processing 2017-02-08 10:45:16 +00:00

README

This example shows how to use bands.x to check the band symmetry of
fcc-Pt with a fully relativistic US-PP which includes spin-orbit effects.

The calculation proceeds as follows:

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

2) make a band structure calculation for Pt (input=pt.nscf.in,
   output=pt.nscf.out).

3) use the bands.x program to check the band symmetry (input=pt.bands.in,
   output=pt.bands.out).