TURBOMOLE Users Forum
TURBOMOLE Modules => Molecular Properties, Wavefunction Analysis, and Interfaces to Visualization Tools => Topic started by: t-iwasa on September 15, 2022, 10:38:37 AM
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dear
I tried to calculate transdens in cube format upto 200 excited states (tdlist 1-200) with "escf -proper", but the output is starting from 101. So I rerun the calculation by using tdlist from 1-100. This is not a serious trouble but somewhat bothering. I'd be very happy to have any way to solve this.
Thanks
Takeshi Iwasa