EPW Forum

Hi Sabya,

I managed to finish the phonon calculation properly within a single run. But the issue is still there. Attached is the full output of the ph.x calculation. All of the other input and output are the same as those attached in my previous post.

best regards,
Tong

Hi Sabya, I checked the save folder. No dvscf or pattern file is missing. ------------------------------------------------------------------- >>> ls save in2se3.dvscf_q1 in2se3.dvscf_q4 in2se3.dvscf_q7 in2se3.dyn_q3 in2se3.dyn_q6 in2se3.dvscf_q2 in2se3.dvscf_q5 in2se3.dyn_q1 in2se3.dyn_q4 in2se3.dyn ...

The used pseudopotential for In and Se are attached here.

Dear EPW developers and all, I am running epw calculations to study the electron-phonon coupling of 2D alpha-phase In2Se3. Everything goes well until the transformation of the g element from the bloch basis to the wannier basis, which always stops at the first -q point as below ...