[Pw_forum] RRKJ pseudopotentials and raman calculations

Merlin Meheut merlin.meheut at lmtg.obs-mip.fr
Tue Apr 20 17:53:29 CEST 2010


Eric J. Walter a écrit :
> Paolo Giannozzi wrote:
>   
>> Merlin Meheut wrote:
>>
>>   
>>     
>>> If I have well understood what you said, rrkj ("optimized") 
>>> pseudopotentials generated with opium are also ultrasoft.
>>>     
>>>       
>> I don't think so. DO you have any evidence of this?
>>
>> P.
>>   
>>     
>
>
> OPIUM makes norm conserving pseudopotentials only.  No ultrasoft.
>
> Eric
>
>
>   

I understand now. My confusion comes from the fact that, to my knowledge,
there is no norm-conserving pseudopotentials generated using the RRKJ 
algorithm
on the official website. Is there a reason for this?

Merlin


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>   


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Merlin Méheut
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