mirror of https://gitlab.com/QEF/q-e.git
15 lines
426 B
Plaintext
15 lines
426 B
Plaintext
This example tests pw.x and ph.x for the noncollinear/spin-orbit case and PAW.
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The calculation proceeds as follows:
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1) make a self-consistent calculation for bcc-Fe
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(input=Fe.scf_pbe.in, output=Fe.scf_pbe.out).
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2) make a band calculation for bcc-Fe
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(input=Fe.band_pbe.in, output=Fe.band_pbe.out).
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3) make a band plot for bcc-Fe
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(input=Fe.bands.in, output=Fe.bands.out).
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The band plot is in reference/gnuplot.ps.
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