Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/PHonon/example08

      Name                    Last modified       Size  Description

[DIR] Parent Directory 03-Mar-2017 02:09 - [DIR] reference/ 03-Mar-2017 01:46 - [   ] run_example 03-Mar-2017 01:46 6k [   ] run_xml_example 03-Mar-2017 01:46 10k

This example tests ph.x together with PAW.

The calculation proceeds as follows:

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

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

3) make a phonon calculation for C at the X point (input=c.phX.in,
   output=c.phX.out).

4) make a self-consistent calculation for ch4 in a small box
   (input=ch4.scf.in, output=ch4.scf.out).

5) make a phonon calculation at the Gamma point (input=ch4.phG.in,
   output=ch4.phG.out).