[QE-users] Pseudopotential type is different in the website description and in the file

[Rajesh Raju]

Hi users,

I am new to QE and searching pseudopotential for my system which contains Cu and C. I learned the naming scheme and found some mismatch

For example: For Cu, the first entry in the PS library list is in the website shows the following information
Cu.pbe-dn-kjpaw_psl.1.0.0.UPF<https://www.quantum-espresso.org/upf_files/Cu.pbe-dn-kjpaw_psl.1.0.0.UPF>

Origin: PS Library
Author: ADC
Generated using "atomic" code by A. Dal Corso  v.6.3

Pseudopotential type: USPP
Functional type: PBE
Non Linear Core Correction
Scalar relativistic


When I opened the file, it shows Pseudopotential type as PAW.

<UPF version="2.0.1">
  <PP_INFO>
Generated using "atomic" code by A. Dal Corso  v.6.3
Author: ADC
Generation date:  6Sep2018
Pseudopotential type: PAW
Element: Cu

Another entry in the PSLibrary Cu.pbe-dn-kjpaw_psl.0.2.UPF<https://www.quantum-espresso.org/upf_files/Cu.pbe-dn-kjpaw_psl.0.2.UPF> mention Pseudopotentail type PAW in the website and in the file.

Cu.pbe-dn-kjpaw_psl.0.2.UPF<https://www.quantum-espresso.org/upf_files/Cu.pbe-dn-kjpaw_psl.0.2.UPF>

Origin: PS Library
Author: ADC
Generated using "atomic" code by A. Dal Corso  v.5.0.2 svn rev. 9415

Pseudopotential type: PAW
Functional type: PBE
Non Linear Core Correction
Scalar relativistic

Similarly for other elements such as C and O.

Is it just an error in the website ?? Or is there any physical meaning in these changes??

Thanks

Rajesh
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