NMR using TPSS and TPSSh with ZORA


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Hi there,

I am trying to obtain the isotropic values for an Uranium based compound for which I need to use ZORA relativistic option, with a series of functionals. When I use the TPSS and TPSSh functionals, I get this error

 xtpss03: d2 not coded                    0
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current input line :
0:
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This error has not yet been assigned to a category


I am guessing one cannot perform these calculations because the integrals are not defined for these functionals?

thanks!