[CP2K-user] [CP2K:17546] CEO_OPT TDDFT

yan huang huangtingyanyi at gmail.com
Thu Aug 25 09:46:32 UTC 2022


Dear all,

Now I want to get the first excited state structure,  should I add the 
following lines in cp2k 9.1?

   &EXCITED_STATES
     STATE 1
     XC_KERNEL_METHOD BEST_AVAILABLE
   &END EXCITED_STATES

Thanks & regards
Best,
Yan

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