kirk0830 / ABACUS-Pseudopot-Nao-Square

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)
https://kirk0830.github.io/ABACUS-Pseudopot-Nao-Square/
GNU Lesser General Public License v3.0
5 stars 3 forks source link

Refactor: make management of pseudopotential files more flexible, also upload Ac test result #48

Closed kirk0830 closed 7 months ago