Author Topic: Problems generating plt files for nto orbitals (ricc2)  (Read 1040 times)


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Problems generating plt files for nto orbitals (ricc2)
« on: May 05, 2020, 07:28:43 PM »
I am trying to generate the natural transition orbitals as plt files using turbomole (with ADC(2)).
I have inserted into the control file: $pointval nto 1-5
I have tried to use the ricc2 module, or ricc2 -proper as suggested by the manual. The calculations run smoothly, but the plt files are not created. I also tried using the proper module as described in the manual (proper --> mos --> ntos), but this option generates different files, but not plt files. I need to plot the natural transition orbitals. The manual suggest to create plt files and open them with gOpenMol.
I am using Turbomole version 7.3.
Do I need another keyword in the control file? I could not find any explanation what is wrong with my input.