[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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