The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear Carlos,

Kindly peruse the document, "ABINIT. List of features."
http://www.abinit.org/Infos_v5.3/features/features.html
esp. http://www.abinit.org/Infos_v5.3/features/features.html#1.C
The computation using GW (& TDDFT) is for norm-conserving
pseudopotentials at present, not for PAW ...

Regards,
Masayoshi

On 2007/05/14, at 23:07, Carlos Ortiz wrote:

> dear users,
>
> i am trying to generate a kss file for diamond, using the provided  
> 6c_lda.paw file.
>
> when setting:
> nbandkss   -1
> the input parameters pass the internal checks for consistency and  
> then i get the error message:
> " leave_new : decision taken to exit ..."
>
> using the 6c.pspnc pseudopotential file instead, everything works  
> fine.
>
> are there some extra parameters needed to be set for the generation  
> of a kss file from 6c_lda.paw?
>
> regards
> carlos
>
>
> ---
>
> <tpaw_diam.in>