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

[Pietro Delugas]

it's a typo.  kjpaw in the suffix always means they  are PAW

thanks for noticing and reporting

I am going to correct and check

Pietro

On 08/04/19 10:02, Rajesh Raju wrote:
> Hi Developers
>
> 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 PSLibraryCu.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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