[Pw_forum] Hybrid XC with USP

priyanka goud 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.

*With Regards*,

Research Scholar,
Computational Chemistry,
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