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How to determine whether delta_approx=.true. needs to be set?

Posted: Tue Aug 03, 2021 2:56 am
by sevenel
Dear all,
When calculating phonon linewidth, how to determine whether delta_approx=.true. needs to be set?
When I repeated the example 'q-e-qe-6.7.0/EPW/examples/diamond/epw/' with or notwith the parameter delta_approx=.true. ,
the linewith of phonon are very difference.
best wishes,
zhenqing

Re: How to determine whether delta_approx=.true. needs to be set?

Posted: Thu Aug 05, 2021 6:20 pm
by hlee
Dear zhenqing:

When delta_approx is set to .true. , the “double-delta function” approximation is used; the phonon frequencies are neglected in calculating the imaginary part of the phonon self-energy.
So it is more accurate to set delta_approx to .false. (this is a default value).

Sincerely,

H. Lee