Dear Hui Wang thanks for answering. I know how to it with vasp, so in QE I had to do exactly the same procedure as in vasp?
Cheers, Davide > > ------------------------------ > > Message: 5 > Date: Sat, 8 Jun 2013 17:09:31 +0800 > From: xirainbow <nkxirainbow at gmail.com> > Subject: Re: [Pw_forum] band structure, can't I use hybrid functional? > To: PWSCF Forum <pw_forum at pwscf.org> > Message-ID: > <CABBv2WLo+K3peFv5jQRtf0gq33aJtC2TQwpZ3bPe0kppbhAqtQ at mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > Dear Davide: > I have a tip to do band calculation for band with HSE > hybrid functional. > 1:do scf calculation on a regular k-mesh (for example > 4*4*4) and save charge density and wavefunction. > 2: write the k mesh by hand: Add additional k points to > the regular k-mesh and set the weight of these k point to zero. > 3: do scf calculation again. > > You can find more information at here: > http://blog.sina.com.cn/s/blog_5f15ead20100wpqr.html > It is HSE band calculation procedure using VASP. > > > > -- > ____________________________________ > Hui Wang > School of physics, Fudan University, Shanghai, China > >
