mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-25 04:43:33 +00:00
11 lines
492 B
Plaintext
11 lines
492 B
Plaintext
A setup is to the PAW method what a pseudo-potential is to the pseudo-potential
|
|
method. There are setups for the LDA, PBE, revPBE, RPBE and GLLBSC functionals.
|
|
The setups are stored as compressed XML specification for atomic PAW datasets
|
|
files.
|
|
|
|
This package installs the setups into the default location,
|
|
$(PREFIX)/share/gpaw-setups. You can use the GPAW_SETUP_PATH environment
|
|
variable with py-gpaw to override this default location.
|
|
|
|
WWW: https://wiki.fysik.dtu.dk/gpaw/setups/setups.html
|