TURBOMOLE Users Forum
TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: Gopakumar on December 13, 2007, 11:37:28 AM
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Is it possible to print the 'LCAO coefficients' and the 'overlap matrix'
using the turbomole program.
is there any utility to extract this information or it is already there in one of the outputs.
if yes, could any one help me finding this information.
thanking you for your help