<div dir="auto"><div>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<br><br><div data-smartmail="gmail_signature">-- <br>Lorenzo Paulatto</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, 20 Jun 2020, 04:30 Hongyi Zhao, <<a href="mailto:hongyi.zhao@gmail.com">hongyi.zhao@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
I noted the wiki page for the "List of quantum chemistry and<br>
solid-state physics software" here:<br>
<a href="https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software" rel="noreferrer noreferrer" target="_blank">https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_physics_software</a>.<br>
<br>
On the above web page, it lists pwscf and q-e as different<br>
entries/rows with the following and following descriptions on the<br>
features/capabilities about them:<br>
<br>
Package | License† | Language | Basis | Periodic‡ | Mol. mech. |<br>
Semi-emp. | HF | Post-HF | MRCI | DFT | GPU<br>
<br>
PWscf6 | Free, GPL | Fortran | PW | 3d | No | No | Yes | No | No | Yes | No<br>
Quantum ESPRESSO | Free, GPL | Fortran | PW | 3d | Yes | No | Yes | No<br>
| No | Yes | Yes, CUDA<br>
<br>
I've the following issues on the above comparison:<br>
<br>
1. Why does it list pwscf and q-e separately?<br>
2. As you can see, there are many columns with No. Why q-e/pwscf don't<br>
support these features/capabilities?<br>
<br>
Regards,<br>
-- <br>
Hongyi Zhao <<a href="mailto:hongyi.zhao@gmail.com" target="_blank" rel="noreferrer">hongyi.zhao@gmail.com</a>><br>
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