[CP2K-user] [CP2K:20187] RAMAN Intensities

alberto santonocito alberto93.santonocito at gmail.com
Tue May 7 12:01:28 UTC 2024


Hi everyone I'm trying to calculate Raman intensities of ice XI with 
PBE0-D3 functional. 

I encounter the following error: 
 derivatives bigger than 1 not implemented  xc/xc_xpbe_hole_t_c_lr.F:198

Could anyone tell me the error(s)?

I attach the input and output

Thanks

Alberto

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