Does CP2K still support TDDFT module ?

Sharma SRK Chaitanya Yamijala sharma... at gmail.com
Mon Aug 12 10:15:07 CEST 2013


Dear CP2K users/developers,

I would like to use CP2K for calculating the excited state spectra (both 
UV-VIS and PL) within TDA approximation or even with full-TDDFT for some 
organic molecules containing metal atoms. I found that (from some of the 
previous posts like https://groups.google.com/forum/#!topic/cp2k/ipYUlpu96gA) CP2K is not supporting this module any more. But, as the post is very old 
(year 2009), I would like to know whether there is any revision in the 
implementation of TDDFT in CP2K or not? Also, if it is possible, please 
shed some light on whether any care should be taken in using this module. 

Thanking you for your time and help,
Sincerely,
Chaitanya Sharma.
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