prev
up
next
Mayer Bond orders

The Mayer bond orders are calculated and printed if the keyword

EXTENDEDPOPAN

is included in the input. Next to the Mayer bond orders Mulliken atom-atom populations per l-value will be calculated and printed if this keyword is included in the input. Note that this keyword is not a subkey.

SCM Home Page
Quality Software. Quantum Science
*
*
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     News     About SCM     Contact