XMVB 2.1 utility update: 6D25D

Published Time:  2021-10-05 16:16:02


We are pleased to anounce that the utility of XMVB 2.1, 6d25d, has been updated. The XMVB 2.l manual is also updated and the PDF version has been uploaded to the website. 
6d25d is a utility for XMVB 2.1 to provide integrals based on harmonic rather than cartisian functions. It supported only D functions at first and now F basis functions are also supported. 
Considering the fact that the sequential of F functions are different in Gaussian/PREINT and GAMESS-US, 6d25d supports the input with either type with a simple option in the command. 
All XMVB users are welcome to ask for the utility if interested.