[CP2K:2151] EMSL basis sets

李福君 yon... at gmail.com
Thu Jul 2 10:01:56 UTC 2009


Hi,
  I think it si not too hard to convert EMSL basis set to  the format used
by CP2K.

2009/6/29 bari... at gmail.com <bari... at gmail.com>

>
> Dear all,
>
> Is there a tool to automatically convert basis sets generated on the
> EMSL website (https://bse.pnl.gov/bse/portal)  to a form that is
> usable by cp2k ( like the EMSL_BASIS_SETS in the tests directory) ?
>
> Thanks
>
> Baribefe
> >
>


-- 
李福君
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