The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (Q6040761)
From MaRDI portal
scientific article; zbMATH DE number 7687563
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package |
scientific article; zbMATH DE number 7687563 |
Statements
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package (English)
0 references
22 May 2023
0 references
density-functional theory
0 references
Hartree-Fock
0 references
hybrid functionals
0 references
numeric atomic orbitals
0 references
linear scaling
0 references
MPI
0 references
