[CP2K-user] [CP2K:16165] "derivative bigger than 2 not implemented" in TDDFT calculations

[李文珂]

Dear all, 

I used CP2K 6.1 to conduct TDDFT calculations with truncated PBE0 
functional based on ADMM method. 

However,  I got an error "derivative bigger than 2 not implemented" . 
 * [ABORT] *
* \___/ derivatives bigger than 2 not implemented *
* | *
* O/| *
* /| | *
* / \ xc/xc_xpbe_hole_t_c_lr.F:199 *
*******************************************************************************

I  tried the suggestion in other thread, adding the EXCH_CORRECTION_FUNC 
PBEX, it did not work neither.

The inputfile is attached.

Thank you!

Best regards,

Wenke

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/58dbefa4-3544-49a7-a04b-5433ea41d5cdn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211102/6468434a/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: TDDFPT-test.sh
Type: text/x-sh
Size: 4894 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211102/6468434a/attachment.sh>