mirror of https://gitlab.com/QEF/q-e.git
42 lines
1.4 KiB
Plaintext
42 lines
1.4 KiB
Plaintext
This example tests the recover feature of ph.x
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The calculation in run_example proceeds as follows:
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1) make a self-consistent calculation for norm conserving Si
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(input=si.scf.in, output=si.scf.out).
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2) make a phonon calculation at the Gamma point and stop it after 3
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seconds (input=si.phG.in1, output=si.phG.out1).
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3) make a phonon calculation at the Gamma point and recover the previous
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run (input=si.phG.in2, output=si.phG.out2).
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4) make a self-consistent calculation for ultrasoft Ni
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(input=ni.scf.in, output=ni.scf.out).
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5) make a phonon calculation at the X point and stop it after 6
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seconds (input=ni.phX.in1, output=si.phX.out1).
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6) make a phonon calculation at the X point and recover the previous
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run (input=ni.phX.in2, output=ni.phX.out2).
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7) make a self-consistent calculation for PAW Cu
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(input=Cu.scf_pbe.in, output=Cu.scf_pbe.out).
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8) make a phonon calculation at the Gamma point and stop it after 5
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seconds (input=Cu.phG_pbe.in1, output=Cu.phG_pbe.out1).
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9) make a phonon calculation at the Gamma point and recover the previous
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run (input=Cu.phG_pbe.in2, output=Cu.phG_pbe.out2).
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The calculation in run_example_1 proceeds as follows:
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1) Makes two self-consistent calculations of Al (see example 03)
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2) Start the electron phonon calculation with max_seconds=3 sec.
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3) Recover the electron-phonon calculation with recover=.true. and no
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max_seconds limit.
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4) calculate a2F(omega).
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