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
Search found 2 matches
- Fri Nov 05, 2021 7:05 am
- Forum: General discussion
- Topic: Epw BZ related error
- Replies: 3
- Views: 8545
- Wed Jul 07, 2021 7:12 pm
- Forum: General discussion
- Topic: Mobility tutorial
- Replies: 1
- Views: 3502
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 ...