mirror of https://gitlab.com/QEF/q-e.git
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6133 c92efa57-630b-4861-b058-cf58834340f0 |
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README | ||
run_example |
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).