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abinit/tests/Pspdir/Psdj_nc_fr_04_pbe_std_psp8
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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
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As.psp8 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.upf Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Bi.psp8 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.psp8 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.upf 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.psp8 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
Ta.psp8 Replace Pseudodojo_ by Psdj_ and _standard by _std for the pseudodojo name in the tests directory. 2024-11-20 18:54:40 +01:00
Te.psp8 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 pseudodojo NC-FR v0.4 pseudopotentials have the same characteristics:

  • Same pseudopotential generator (ONCVPSP-3.3.0)

  • Same pseudopotential format (pspcod 8)

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

  • Standard accuracy

  • Fully relativistic (so, with spin-orbit information)

They have been downloaded on July 21, 2020 from the page http://www.pseudo-dojo.org/, with the settings NC FR (ONCVPSP v0.4), PBE, standard, psp8