EPW Forum

Dear all,
When I repeat the tutorial about diam to calculate phonon linewith,
I found in the reference file: q-e-qe-6.7.0/EPW/examples/diamond/epw/out.ref/linewidth.phself_50
there has 201 kpoints total, but the last 21 have the 0 of frequence,
How does this happen? and does it affect the ourcome?
best wishes,
zhenqing

Dear zhenqing:

First, the format of output file changed; in the reference, the second column doesn't represent the frequency, but the linewidth.

Second, even in the output of phonon linewidth from the calculation with the new version of EPW, you can see zero frequencies at some q points and it is related to the input flag of fsthick; depending on the value of fsthick some q points are excluded in calculations.

Sincerely,

H. Lee