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
