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

[Lorenzo Paulatto]

It is Wikipedia, you can just edit the page if you want. I personally
cannot because for some reason unknown, they have blocked a massive subnet
of Italian IP address, included mine. Cheers

-- 
Lorenzo Paulatto

On Sat, 20 Jun 2020, 04:30 Hongyi Zhao, <hongyi.zhao at gmail.com> wrote:

> 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>
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