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reference/H30-Nov-2020-735497

READMEH A D30-Nov-2020364 127

run_exampleH A D30-Nov-20203.4 KiB160126

README

1
2This example illustrates how to use pw.x and ph.x to calculate
3dynamic polarizability of methane molecules (experiment stage)
4
5The calculation proceeds as follows
6
71) make a self-consistent calculation (input=ch4.scf.in,
8   output=ch4.scf.out)
9
102) make a (imaginary) frequency dependent polarizability calculation
11   (input=ch4.fpol.in, output=ch4.fpol.out).
12