2D materials and EPW
Posted: Mon Aug 10, 2020 10:20 am
Dear EPW users,
EPW currently does not officially support 2D materials.
Only a few changes are required to make it work and we plan to release it soon.
In the meantime, you can perform calculations in 2D materials but need to treat it as a 3D one with vacuum.
This means that you need to have some (a few) k/q points along the z direction as well.
Best,
Samuel
EPW currently does not officially support 2D materials.
Only a few changes are required to make it work and we plan to release it soon.
In the meantime, you can perform calculations in 2D materials but need to treat it as a 3D one with vacuum.
This means that you need to have some (a few) k/q points along the z direction as well.
Best,
Samuel