[molpro-user] How to print square overlap matrix?

Zork Zou zorkzou at yahoo.com.cn
Wed Dec 30 06:56:09 GMT 2009


Dear molpro users,
 
I use matrop to print the overlap matrix. The matrix is block-diagonal if symmetry is used, and the diagnal elements are not 1.0. Is it possible to get square overlap matrix given that the symmetry is still used?
 
Thanks in advance,
 
Wenli


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