mirror of https://gitlab.com/QEF/q-e.git
12 lines
364 B
Plaintext
12 lines
364 B
Plaintext
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This example illustrates how to use pw.x and ph.x to calculate
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dynamic polarizability of methane molecules (experiment stage)
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The calculation proceeds as follows
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1) make a self-consistent calculation (input=ch4.scf.in,
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output=ch4.scf.out)
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2) make a (imaginary) frequency dependent polarizability calculation
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(input=ch4.fpol.in, output=ch4.fpol.out).
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