Dear Nina,
Thank you for replying to my post. I had tried skipping around 10 bands but ended up with the same error. I did not want a coarser band structure so I didnt try skipping more. Would you recommend skipping more? Thanks.
Search found 2 matches
- Mon Sep 22, 2025 3:36 pm
- Forum: Running the code
- Topic: epw job crashes during wannerization
- Replies: 2
- Views: 236
- Mon Sep 22, 2025 6:29 am
- Forum: Running the code
- Topic: epw job crashes during wannerization
- Replies: 2
- Views: 236
epw job crashes during wannerization
I am running an epw job on a large system. According to the tutorials, I have first run scf with k-grid 2x2x2 followed by ph.x which generated 4 q-points. Then nscf with 6x6x6 grid and finally epw. This procedure works if I consider only 1 qpoint in the ph.x and eventually in the epw.in but for a ...