Mobility tutorial

General discussion around the EPW software

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azeeshan
Posts: 1
Joined: Mon Jun 28, 2021 3:19 am
Affiliation: University of Chicago

Mobility tutorial

Post by azeeshan »

Hi,

In the mobility tutorial here, https://docs.epw-code.org/doc/GaN-II.html at the end the converged result shows the hole mobility at 300 K is much higher than at 100 K, shouldn't the trend be the reverse? Is this caused by the coarse grids used in the tutorial?

Also, the tutorial mentions that the end of epw1.in, we need to provide the IBZ q-point list from the output of ph.out, but this is not present in the input file epw1.in. Is this no longer needed?

Thanks,
Zeeshan
U Chicago

hlee
Posts: 293
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Mobility tutorial

Post by hlee »

Dear Zeeshan:

I can answer your 2nd question:
Also, the tutorial mentions that the end of epw1.in, we need to provide the IBZ q-point list from the output of ph.out, but this is not present in the input file epw1.in. Is this no longer needed?
Yes, it is not needed any more since the release of EPW v5.3 (https://docs.epw-code.org/doc/Releases.html#epw-v5-3).

Sincerely,

H. Lee

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