[Pw_forum] Fwd: Error in Hybrid Exc calculations

-- Forwarded message -- From: Debnath Talukdar Date: Tue, Sep 13, 2016 at 4:25 PM Subject: Error in Hybrid Exc calculations To: PWSCF Forum Hi, I was trying to do hybrid calculations in quantum espresso. The calculation stopped by printing the following message Error in

[Pw_forum] Problem with vc-relaxation with SOC+GGA

I was trying to do vc relaxation of orthrhombic CsPbBr3 with spin-orbit coupling(SOC) and GGA (PBE) exchange-correlation. But it shows noncollinear stress + GGA not implemented. So how can I do vc-relaxation with SOC with GGA exchange-correlation. Thanks _

[Pw_forum] Restarting nscf/bands calculation

Dear all, I am trying to do bands calculation of 6x6 germanene monolayer over 100 k points along high symmetry line of hexagonal BZ. Last year I tried to do it using espresso-5.0.2. At that time I saw that if I give calculation='bands' then it can not be restarted but if I gave calculatio

Re: [Pw_forum] terahedra method for projwfc

greaat bosss On Thu, Mar 19, 2015 at 5:10 PM, Ludwig, Stephan < stephan.lud...@pi1.physik.uni-stuttgart.de> wrote: > Hello, > > > I read that the tetrahedron method is not implemented for > projwfc-calculations. > > What does this mean? > > I have done scf calculation with gaussian smearing

[Pw_forum] Phonon calculation using vdw-DF van der waals's correction

ase let me know whether phonon with van der Waals functional is implemented or not? With regards Debnath Talukdar IISER Pune ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum