[Pw_forum] Request

[Stefano de Gironcoli]

Dear Amin,

    since the Vasp people refused to provide information about their 
pseudopotental format and to distribute publicly their preudopotential 
files, it is not possible and, i guess, legally forbidden to use their 
pseudo in other codes.
    In case you wish to use their pseudo with QE you should first of all 
submit a request for authorization to the Vasp people and ask 
information on how to create a converter to the UPF format.
    best regards,
stefano

PS: have you checked in the ps_library distribution for a Cr pseudo with 
SOC ?



On 07/28/2012 04:00 PM, Amin Amin wrote:
> Dear PWSCF users,
>
> I would like to perform a electronic structure of the CrO2 with
> inclusion of SOC.
> I could not find full relativistic pseudopotential for Cr.  Now the
> point is: can I use the SOC
> included  pseudopotential  from VASP for my calculations?
>
> Best, Amin
> King Abdullah University of Science and Technology, KSA
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