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abinit/tests/Pspdir/Psdj_nc_sr_04_pbe_std_psp8
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baguetl bdc66c777f Add new test to cover the use of npband without wfoptalg for norm-conserving. 2024-12-16 18:24:04 +01:00
..
Al.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.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
Ca.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
F.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
H.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
In.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
Mg.psp8 Add new test to cover the use of npband without wfoptalg for norm-conserving. 2024-12-16 18:24:04 +01:00
N.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
O.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
O.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
P.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
Rb.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
S.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
Se-d.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
Si.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
Si.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
Zn-sp.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
Zr.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-SR 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

Several (As.psp8 Ca.psp8 Ga.psp8 In.psp8 N.psp8 O.psp8) have been downloaded on July 21, 2020 from the page http://www.pseudo-dojo.org/, with the settings NC SR (ONCVPSP v0.4), PBE, standard, psp8

Se-d.psp8 and Zn-sp.psp8 have been downloaded on November 1, 2020 from https://github.com/abinit/pseudo_dojo/tree/master/pseudo_dojo/pseudos/ONCVPSP-PBE-PDv0.4

H.psp8 has been downloaded on December 30, 2020 from the page http://www.pseudo-dojo.org/, with the settings NC SR (ONCVPSP v0.4), PBE, standard, psp8