DO_RAMAN with gga

mottarello motta... at hotmail.com
Fri Apr 20 06:50:59 UTC 2018


Dear CP2K community,
   I have just tried to run a linear response calculation requiring the 
DO_RAMAN keyword. The problem is that the calculation with the PBE or the 
BLYP xc functional did not work and the following message appears in the 
standard output:
"UNIMPLEMENTED, XC_DERIV method not implemented for GPW!"
When I have tried to run the calculation with the PADE functional, it 
worked well. I used both the cp2k 2.5 and the cp2k 5.0 version and in both 
cases I received the same error message. I attach my input file and my 
coordinate file. I have looked in the forum for a solution but without any 
success. 
thanks in advance
Alessandro

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