HELP WITH COMPOSITE METHODS
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Hello,
I have been attempting to incorporate composite methods such as HFSOL3C into my computations, however, it appears that CRYSTAL does not recognize the keyword. This appears the same for any composite method, but not if I put in something like STO-3G.
After going back to the basic MgO test case, I still receive an error that states: "SELECTED BASIS SET IS UNAVAILABLE OR WRONG KEYWORD"
I have attached the output file.
Any help would be greatly appreciated,
George
mgo (1).out -
Dear George,
According to your output, you are using CRYSTAL17 to perform the HFsol-3c calculation.
Please note that HFsol-3c and the other "sol-3c" composite methods are only available in CRYSTAL23.Best regards,
Bartolomeo
