[adf-list] excitedgo,具有范围分隔的功能

Erik van Lenthe. vanlenthe在scm.com

Dear Jacob Parker,

In ADF 2016 excited state gradients are not implemented (correctly) for 
LibXC functionals.
In ADF 2016 excited state gradients cannot be used with range-separated 

Best regards,
Erik van Lenthe
> Hello ADF users and developers,
> I was wondering if there are any methods to use range separated 
> functionals--particularly the ones provided from the LibXC 
> documentation-- in conjunction with the excited state geometry 
> optimizer ADF provides. I have attempted to run a calculation with a 
> range separated functional (LRC_WPBEH), but run into an error caused 
> by using a range separated functional with TDDFT gradients. Thus, I am 
> wondering if anyone knows any methods to apply range separated 
> functionals in conjunctional with the excited state geometry optimizer.
> Best,
> Jacob Parker
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