[molpro-user] df_basis
"Piotr J. Bardziński"
bardzinski at poczta.fm
Wed Feb 29 11:40:45 GMT 2012
Dear Listmembers,
I wanted to ask, if someone knows which 'df_basis' will be appropriate
for 6-31g(d) basis set?
The input was attached below...
Thank you in advance for all suggestions.
Best regards,
Piotr
***, text
memory,175,m
basis=6-31g(d)
gdirect;
geomtyp=xyz
nosym,noorient
geometry={
(...)
{df-hf,df_basis=vdz; wf,charge=2}
{df-mp2}
e_dimer=energy
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