Search found 2 matches

by azeeshan
Fri Nov 05, 2021 7:05 am
Forum: General discussion
Topic: Epw BZ related error
Replies: 3
Views: 7000

Re: Epw BZ related error

Hi Samuel,

When I use open_grid.x with a coarse automatic grid, I also get the same error since the k points are between -0.5 and 0.5. Is there a workaround to run these calculations if I want to avoid an nscf calculation (e.g. in case of hybrids).

Best,
Zeeshan
by azeeshan
Wed Jul 07, 2021 7:12 pm
Forum: General discussion
Topic: Mobility tutorial
Replies: 1
Views: 2705

Mobility tutorial

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 th...