DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744)
From MaRDI portal
scientific article
Language | Label | Description | Also known as |
---|---|---|---|
English | DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations |
scientific article |
Statements
DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (English)
0 references
25 April 2023
0 references
electronic structure
0 references
real-space
0 references
spectral finite-elements
0 references
ionic forces
0 references
mixed-precision arithmetic
0 references
pseudopotential
0 references
all-electron
0 references
ab-initio molecular dynamics
0 references
0 references
0 references
0 references
0 references
0 references
0 references
0 references
0 references
0 references
0 references