Posted by Francesco Aquilante on November 04, 2009 at 14:50:23:
In Reply to: Spin scaled MP2; custom RI bases? posted by Grigory Shamov on November 02, 2009 at 01:11:38:
There is basically no difference between the way to add a custom bs file for AOs and doing that for RI basis sets. Of course, the basis set name for the two should match. You need to remember to place the RI bs file in the corresponding folder under basis_library/ . This means that if you will use the keyword RIJ in seward, then your bs file should be located in the subdirectory j_Basis/ . You are free to use any of the three keywords RIJ, RIJK or RIC, although the "standard" meaning of these is related to the type of calculation your custom RI basis set is good for (typically, it is Coulomb, exchange, post-HF, respectively).
About spin-scaled MP2 energy, I recommend to just run a Cholesky or RI mp2 calculation, that means no additional keywords in the MBPT2 module. The output will show both the OS and SS correlation energy contributions. There is a SOS code, also working only in connection with Cholesky or RI, but then you won't be able to retrieve the SCS result.