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NBO analysisThe adf release contains a simple input file generator, called adfnbo, for the GENNBO program of Prof. Weinholds Natural Bond Orbital (NBO) 5.0 package: http://www.chem.wisc.edu/~nbo5 The GENNBO executable is included in the ADF distribution and can be enabled via the license file for all those who buy an NBO manual from SCM. An extensive documentation of GENNBO is part of the NBO manual. Usage can be found in the Analysis and Examples Document. | |