2D materials and EPW

[sponce]

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

[Meiling]

Dear Dr.,
I have a problem when I tested my job using EPW.5.2. Sevel values are equal to 'NaN', such as Re[znorm] and Re[delta].
The output is "pade Re[znorm] [eV] Re[delta] [eV]
2494 NaN NaN
Convergence was reached for N = 2494 Pade approximants".
If you have any advice, please give me a hand. Thanks very much.


Sincerely,
Meiling Xu

[roxana]

Dear Meiling,

Please in the future don't post the same message on different lists in the forum.

Best,
Roxana

[jhosamelly]

Hello! Can we now use the new version (EPW v5.5) to calculate the electron mobility of 2D materials?

[hlee]

Dear jhosamelly:

The new version (EPW v5.5) also doesn't officially support the electron mobility of 2D materials.
We are still working on it.

Sincerely,

H. Lee