[Pw_forum] Hybrid XC with USP
priyankagoud8 at gmail.com
Thu May 26 12:24:35 CEST 2011
Dear PWSCF users,
I have came across an error while using
hybrid XC functional as Input_dft = "PBE0" using ultrasoft psedopotentials
of PBE for C,H,N,S atoms.
Job terminated with an error "HYBRID XC not implemented for USPP or PAW".
For the same I could able to run my job with hybrid XC functional
Input_dft = "B3LYP" using norm conservative pseudopotentials.
Can any one please say me can't we implement hybrid XC functional for
ultrsoft pseudo potentials.
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