scnc
/
abinit
mirror of https://github.com/abinit/abinit.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
abinit/tests/Pspdir/Psdj_paw_pbe_std
History
trunk 16a818a670 Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
..
Al.corewf.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Al.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
As.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
C.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Co.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Fe.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Ga.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
I.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
In.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
N.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Na.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Ne.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Ni.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
O.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
P.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
README.md Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Si.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Sn-sp.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Sn.xml Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00

README.md

Information about the pseudopotentials in this directory

These JTH v1.0 pseudopotentials have the same characteristics:

  • Same pseudopotential generator (Atompaw 4.0.0.12)

  • Same pseudopotential format (XML for PAW)

  • Same exchange-correlation functional (pspxc 11 , PBE - Perdew-Burke-Ernzerhof)

  • Standard accuracy

They have been downloaded on July 21, 2020 from the page http://www.pseudo-dojo.org/, with the settings PAW, PBE, standard, xml . Most are JTH v1.0, except JTH v1.1 for Fe.xml, Ni.xml, Sn-sp.xml and Sn.xml .

Na.xml and I.xml have been downloaded on February 11, 2021, from the same page with the same settings. They are JTH v1.0 .