[molpro-user] explicit basis, partly ecp and df-method

[Grant Hill]

On 4 Dec 2008, at 05:14, Berger Raphael wrote:

> My main problem is how to define the df-basis. my last try was:
>
> df-mp2,df_basis={La=vtz-pp;Br=tzvpp;}

It is much easier to specify your DF basis within the basis block as a  
separate set. For example

basis={
default,vtz

set,dfmp
default,vtz/mp2fit
}

hf
df-mp2,basis=dfmp


HTH,

Grant