Hartree-Fock & Hybrid calculation of K2SiF6

[Uday Pratap SIngh Kushwah]

Dear All,

I completed the hybrid functional calculation for K2SiF6, the quasi particle energies and band gap changed significantly when I compared them to my BGW calculations.

I did use a bare_exchange_fraction 0.44, cause the head of epsilon inverse at the first q point  of my epsilon calculation was 0.56 ( BGW).

It'd be great help. if you can help me out with this.

I have attached all relevant input and output files.

(sigma.inp and sigma.out) are BGW files.

Best,

Uday Pratap Singh Kushwah