Lorenzo Paulatto <[email protected]> 于2020年6月20日周六 下午4:17写道： > > 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
It should be caused by your government's firewall. OTOH, I checked the content here: https://www.quantum-espresso.org/project/what-can-qe-do, and really cannot find the following features/capabilities included in q-e just as described on the wiki: Semi-empirical quantum chemistry method Post–Hartree–Fock Multireference configuration interaction Regards, HY > > -- > Lorenzo Paulatto > > On Sat, 20 Jun 2020, 04:30 Hongyi Zhao, <[email protected]> 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 <[email protected]> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Hongyi Zhao <[email protected]> _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
