Custom output name or rename of excites state density file (.dmat )

[Jabed Abu]

Hi, 

I am a relatively new NWChem user. I want to save the excited state density file ( .dmat)  with a custom name (other than job title). So then I can run multiple TDDFT calculations in a single input file for multiple roots. How can I do that? I tried "densmat output title_root.dmat" but didn't work. In addition, can I run a bash command in the input file? In that case, I can just rename the .dmat file in between TDDFT calculations. 

Thanks much 

Jabed 

[Edoardo Aprà]

You could try the task directive for shell

...

task tddft

task shell "cp myprefix.dmat title_root.dmat"

....