quantum-espresso/examples/Recover_example
dalcorso e089d1624a Added an example to test the recover feature of ph.x.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6133 c92efa57-630b-4861-b058-cf58834340f0
2009-11-10 16:25:52 +00:00
..
reference Added an example to test the recover feature of ph.x. 2009-11-10 16:25:52 +00:00
README Added an example to test the recover feature of ph.x. 2009-11-10 16:25:52 +00:00
run_example Added an example to test the recover feature of ph.x. 2009-11-10 16:25:52 +00:00

README

This example tests the recover feature of ph.x 

The calculation proceeds as follows:

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

2) make a phonon calculation at the Gamma point and stop it after 3
   seconds (input=si.phG.in1, output=si.phG.out1).

3) make a phonon calculation at the Gamma point and recover the previous
   run (input=si.phG.in2, output=si.phG.out2).

4) make a self-consistent calculation for ultrasoft Ni
   (input=ni.scf.in, output=ni.scf.out).

5) make a phonon calculation at the X point and stop it after 6
   seconds (input=ni.phX.in1, output=si.phX.out1).

6) make a phonon calculation at the X point and recover the previous
   run (input=ni.phX.in2, output=ni.phX.out2).

7) make a self-consistent calculation for PAW Cu
   (input=Cu.scf_pbe.in, output=Cu.scf_pbe.out).

8) make a phonon calculation at the Gamma point and stop it after 5
   seconds (input=Cu.phG_pbe.in1, output=Cu.phG_pbe.out1).

9) make a phonon calculation at the Gamma point and recover the previous
   run (input=Cu.phG_pbe.in2, output=Cu.phG_pbe.out2).