mirror of https://gitlab.com/QEF/q-e.git
19 lines
546 B
Plaintext
19 lines
546 B
Plaintext
This example tests ph.x together with PAW.
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The calculation proceeds as follows:
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1) make a self-consistent calculation for C
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(input=c.scf.in, output=c.scf.out).
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2) make a phonon calculation for C at the Gamma point (input=c.phG.in,
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output=c.phG.out).
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3) make a phonon calculation for C at the X point (input=c.phX.in,
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output=c.phX.out).
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4) make a self-consistent calculation for ch4 in a small box
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(input=ch4.scf.in, output=ch4.scf.out).
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5) make a phonon calculation at the Gamma point (input=ch4.phG.in,
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output=ch4.phG.out).
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