quantum-espresso/PHonon/examples/Recover_example
Paolo Giannozzi 121edf52c8 [Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are
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reference update of reference data for PHonon examples 2017-02-07 14:07:15 +00:00
reference_1 update of reference data for PHonon examples 2017-02-07 14:07:15 +00:00
README Added and example of recovering an el-ph run. 2013-01-25 10:16:52 +00:00
run_example update of reference data for PHonon examples 2017-02-07 14:07:15 +00:00
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README

This example tests the recover feature of ph.x 

The calculation in run_example 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).

The calculation in run_example_1 proceeds as follows:

1) Makes two self-consistent calculations of Al (see example 03)

2) Start the electron phonon calculation with max_seconds=3 sec.

3) Recover the electron-phonon calculation with recover=.true. and no
max_seconds limit.

4) calculate a2F(omega).