[Pw_forum] Pseudopotentials for TPSS

[degironc]

PG told me that that version was lost forever ... it would be nice to 
have it and to integrate its content in the distribution.
Stefano de Gironcoli, SISSA & DEMOCRITOS

Yosuke Kanai wrote:
> Hi Sergey
>
> I am not sure about this particular PP, but I have an old version of PP 
> generation code
> (by Paolo G.), in which Xiaofei Wang implemented TPSS in it.
>
> He (Xiaofei) is no longer in the field, but I have this code and can 
> send it to you if you like.
>
> Yosuke
>
>
> Sergey Maximoff wrote:
>   
>> Folks:
>>
>> The distribution version of QE 3.1.1 includes norm-conserving TPSS   
>> pseudopotentials  for a couple of atoms. The header of the UPF file  
>> for H says:
>>
>> "Generated using ld1 code (maybe, or maybe not)
>> Author: unknown    Generation date: as well "
>>
>> Looking at the supplied with QE 3.1.1 pseudopotential code reveals  
>> statement
>>
>> if (dft_is_meta()) call errore('setyp','meta-GGA not implemented  
>> yet', 1)
>>
>> that implies that running ld1.x, at least  in the given form, cannot  
>> produce TPSS pseudopotentials.
>>
>> I am therefore asking three questions .
>>
>> a) what "(maybe, or maybe not) " code in the header above is?
>>
>> b) Does this "(maybe, or maybe not)" belong to the public domain?
>>
>> c) If the answer to the latter question is 'yes', how can  I acquire  
>> this "(maybe, or maybe not) "?
>>
>>
>> Regards,
>>
>> Sergey
>>
>>   
>>   
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>
>
>