mirror of https://gitlab.com/QEF/q-e.git
15 lines
497 B
Plaintext
15 lines
497 B
Plaintext
This example shows how to use pw.x to calculate phonons with a fully
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relativistic US-PP which includes spin-orbit effects.
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The calculation proceeds as follows:
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1) make a self-consistent calculation for fcc-Pt
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(input=pt.scf_ph.in, output=pt.scf_ph.out).
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2) make a phonon calculation at the Gamma point (input=pt.ph.in,
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output=pt.ph.out).
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3) make a phonon calculation at X (input=pt.phX.in, output=pt.phX.out).
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4) make a phonon dispersion calculation (input=pt.ph.in, output=pt.ph.out).
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