[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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Merlin Méheut
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