Density matrix and properties of specific excited state in TDDFT.

Clicked A Few Times	6:27:15 AM PDT - Fri, Jun 5th 2015 Dear all, I need to have relaxed density matrix in specific excited state, also properties and charge density but I can not find the proper switches to generate this data after a TDDFT run. Furthermore I need these properties in vertical excitation and not the optimized geometry of excited states. Any answer appreciated in advance. Bests.
Computational and Theoretical Physics Group, AEOI, Tehran, Iran

Forum Regular	9:58:34 AM PDT - Fri, Jun 5th 2015 Have a look at http://nwchemgit.github.io/index.php/Release65:Excited-State_Calculations#GRAD_--_analytical... For just the vertical excitation use task tddft gradient instead of task tddft optimize Best, Sean

Clicked A Few Times	10:11:07 PM PDT - Fri, Jun 5th 2015 Dear Sean, Thanks for your time and consideration, If this task write "relaxed density matrix of excited state" in output , or any separated file? and I was wondering if there is any verbosity level or switch needed to do this? Bests.

Forum Regular	10:48:29 AM PDT - Sat, Jun 6th 2015 For any TDDFT gradient/optimization calculation, regardless of print level, the excited state density is written to a file with the suffix .dmat Best, Sean

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