Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/PHonon/Recover_example
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
reference/ 03-Mar-2017 01:46 -
reference_1/ 03-Mar-2017 01:46 -
run_example 03-Mar-2017 01:46 10k
run_example_1 03-Mar-2017 01:46 5k
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).