[QE-users] The features/capabilities of q-e/pwscf.

[Hongyi Zhao]

Hi,

I noted the wiki page for the "List of quantum chemistry and
solid-state physics software" here:
https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software.

On the above web page, it lists pwscf and q-e as different
entries/rows with the following and following descriptions on the
features/capabilities about them:

Package | License† | Language | Basis | Periodic‡ | Mol. mech. |
Semi-emp. | HF | Post-HF | MRCI | DFT | GPU

PWscf6 | Free, GPL | Fortran | PW | 3d | No | No | Yes | No | No | Yes | No
Quantum ESPRESSO | Free, GPL | Fortran | PW | 3d | Yes | No | Yes | No
| No | Yes | Yes, CUDA

I've the following issues on the above comparison:

1. Why does it list pwscf and q-e separately?
2. As you can see, there are many columns with No. Why q-e/pwscf don't
support these features/capabilities?

Regards,
-- 
Hongyi Zhao <hongyi.zhao at gmail.com>