Are you using QE v.6.2? in all previous versions, noncollinear EXX doesn't
work properly
Paolo
On Sat, Nov 4, 2017 at 1:07 PM, Debdipto Acharya wrote:
> Dear QE users and developers,
>
> I am currently doing a scf of CsPbI3 cubic unit cell consists of 5 atoms
> using noncollinear hybrid functio
Dear QE users and developers,
I am currently doing a scf of CsPbI3 cubic unit cell consists of 5 atoms
using noncollinear hybrid functional. I have read that ultrasoft
pseudopotentials do not work for noncollinear + hybrid. So I have used
norm-conserving pseudopotential. I have used 8x8x8 k-point.
Dear QE users and developers,
I am currently doing a scf of CsPbI3 cubic unit cell consists of 5 atoms
using noncollinear hybrid functional. I have read that ultrasoft
pseudopotentials do not work for noncollinear + hybrid. So I have used
norm-conserving pseudopotential. I have used 8x8x8 k-point.
