[Pw_forum] Si bandgap using hybrid functionals

[Janam]

Hi,

I'm trying to get the right band gap (~1.12 eV) for Silicon using hybrid 
functions. I'm using espresso 4.2. Unfortunately, the band gap doesn't 
seem to be affected by using the hybrid functionals.

For example, when I use Si.pb-rrkj.UPF (no hybrid functional), I get a 
band gap of 0.633eV. When I use the same pseudopotential with B3LYP, I 
get a band gap of 0.583.

I've posting my scf input file below. Any help/advice would be greatly 
appreciated

&control
    prefix='si-pbe-b3lyp',
    pseudo_dir='/home/nanohub/janam/QuantumEspresso/Si/pseudo'
    outdir ='/home/nanohub/janam/QuantumEspresso/Si/tmp',
    tstress = .true.,
    tprnfor = .true.,
 /
 &system   
    ibrav=  2, celldm(1) =10.35, nat=  2, ntyp= 1,
    ecutwfc = 80.0, input_dft="b3lyp",
 /
 &electrons
    conv_thr=1E-7
 /
ATOMIC_SPECIES
 Si  28.086  Si.pbe-rrkj.UPF
ATOMIC_POSITIONS
 Si 0.00 0.00 0.00
 Si 0.25 0.25 0.25
K_POINTS automatic
   8 8 8 0 0 0

Sincerely
---
Janam Jhaveri
School of Electrical and Computer Engineering
Purdue University
C# (xxx)-xxx-xxxx