RIDFT-2C

[tayed]

Hi,

I'm trying to do ridft two component calculation on singlet of ATO+ molecule,

When I run ridft i have energy E= -336.22165124205 but Ns=1

I trying to increase SCF convergency SCF =5 in order to 7, I have got a new value E = -336.166137 with Ns=0

Which result is correct?

Thanks for your help