We are pleased to anounce that PREINT now supports more basis sets.
PREINT is a utility for XMVB 2.1 to prepare integrals. It now supports following basis sets:
STO-2G STO-3G STO-6G
3-21G 3-21G* 3-21++G 3-21++G*
4-31G
6-31G 6-31+G 6-31+G* 6-31++G 6-31++G* 6-31++G** 6-31G* 6-31G**
6-311G 6-311+G 6-311+G* 6-311+G(2D,P) 6-311+G** 6-311++G 6-311++G* 6-311++G** 6-311++G(2D,2P) 6-311G* 6-311G**
DZP DZVP
TZP TZVP
cc-pCVDZ cc-pCVTZ
cc-pVDZ cc-pVTZ cc-pVQZ
aug-cc-pCVDZ aug-cc-pCVTZ
aug-cc-pVDZ aug-cc-pVTZ aug-cc-pVQZ
Only elements with shells up to F are supported now. We will make more basis sets and elements supported later.
The latest PREINT is available in "dev" and "beta" branches of XMVB.
All XMVB users are welcome to ask for the utility if interested.