Posted by Fernando on May 08, 2013 at 11:24:02:

Dear all,

I'm trying to run a calculation using an ECP obtained from the EMSL Basis set Exchange web site. The ECP is the following: SBKJC Polarized (p,2d) - LFK, for nitrogen.

When I get it in the molcas format, the ECP part looks this way:

ECP

N nelec 2

N ul

1 11.9968600 -0.9121200

N S

0 3.8389500 1.9356500

2 11.7324700 21.7335500

END

But Seward complains with this format, and I get the following input error:

ERROR: Keyword M1 expected, offending line : End of Input

Could anyone help me to solve this? Shouldn't this information be in the downloaded basis set?

Thank you very much

- Re: ECP inline format
**Roland Lindh***16:56:49 5/08/13*(0)