[Pw_forum] USPP + Hybrid XC in V5.1.1

[Amin Torabi]

Folks,

I've noticed that V5.1.1 does not anymore say that "hybrid XC not
implemented for USPP". I tried to test it on TiO2 (WZ), but the results are
nonsense. Am I missing something serious in my input:


&SYSTEM

        ibrav           = 7

        A               = 3.75

        C               = 9.518

        nat             = 6

        ntyp            = 2

        nbnd            = 25

        ecutwfc         = 60

        ecutrho         = 600

        nqx1            = 2

        nqx2            = 2

        nqx3            = 2

        input_dft       = 'hse'

        x_gamma_extrapolation = .true

/

&ELECTRONS

/

ATOMIC_SPECIES

 O   15.9994   O.pbe-n-rrkjus_psl.1.0.0.UPF

 Ti  47.8670   Ti.pbe-spn-rrkjus_psl.1.0.0.UPF

ATOMIC_POSITIONS crystal

 Ti  0.0000000  0.0000000  0.0000000

 Ti -0.5000000  0.7500000  0.2500000

 O   0.0000000 -0.2080000 -0.2080000

 O   0.0000000  0.2080000  0.2080000

 O  -0.5000000  0.9580000  0.4580000

 O  -0.5000000  0.5420000  0.0420000

K_POINTS automatic

 4 4 2 0 0 0



Part of the output:


          k = 0.0000 0.0000 0.0000 (  4071 PWs)   bands (ev):


  *********************************************-492.5825-480.8464-446.4552

  -434.6093-412.5616-361.5954-254.9388-177.9391 -64.8112 -61.2709 -28.5068

   -28.2682 -27.6667 -25.6141 -25.5221 -25.2514 -25.0338  -1.4354   2.3925

     4.7201






-- 
**********************************
Amin Torabi
Ph.D. Candidate
Department of Chemistry
University of Western Ontario
**********************************
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