Search found 4 matches

by spin1/2
Sun Aug 11, 2013 11:57 am
Forum: Ground state
Topic: Can Abinit handle SOC+magnetic system?
Replies: 1
Views: 2027

Re: Can Abinit handle SOC+magnetic system?

Yes. Look up the variables nspinor, nspden and spinat.
by spin1/2
Sun Aug 11, 2013 11:53 am
Forum: Ground state
Topic: spin down band structure
Replies: 3
Views: 3932

Re: spin down band structure

Using nsspol 2 gives both the spin-up & spin-down bandstructures.
Look into the _EIG file. You will find the energy values for spin-up, followed by spin-down.
by spin1/2
Sun Aug 04, 2013 8:23 am
Forum: Ground state
Topic: total energy versus energy density
Replies: 1
Views: 2213

Re: total energy versus energy density

Could you please attach your input files, and tell me the pseudopotentials you are using.
I may understand your problem better if I could run the files & see the outputs.
by spin1/2
Sun Oct 02, 2011 2:16 pm
Forum: Many-body perturbation theory
Topic: uniform k point grid
Replies: 2
Views: 3760

Re: uniform k point grid

ngkpt creates a uniform grid & then applies symmetry operations.
if u look at the kpt list, it wont look 'uniform'. lots of k-points would have been removed due to symmetry.