[Pw_forum] 回复: Nickel doped graphene supercell scf calculation with nspin=2 stopped

Dear QE experts,I can confirm that setting nbnd=400 still receives the stopping error. Can you please hlep? Is nspin=2 the correct way of adding spin polarization to my nickel doped graphene supercell?Thank you,Rolly___ Pw_forum mailing list

[Pw_forum] (no subject)

Hello Curt, Amazon offers cloud HPC services which I think you can sign up for and install Quantum Espresso on it for your work. Otherwise, another option would that you collaborate with a scientist who has resources or can get access to computational resources and also understands the

[Pw_forum] Documentation for q2r.in and matdyn.in

Dear All, I am trying to do phonon dispersion calculation to determine the stability of my system. Can please some one please provide me with the documentation for q2r.in and matdyn.in, I am unable to find those. Regards,Ghadiyali Mohammed Kader,Research Student,Dept. of Physics,University of

Re: [Pw_forum] set_hubbard_l.f90 and tabd.f90 files

Since the flib directory has been suppressed, set_hubbard_l.f90 is now in Modules. HTH On 16 July 2016 at 15:00, Matteo Cococcioni wrote: > If things didn't change in the last releases (I have not checked) > set_hubbard_l is in flib while tabd is in PW/src/. > > Best, > >