Search found 4 matches
- 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.
- 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.
Look into the _EIG file. You will find the energy values for spin-up, followed by spin-down.
- 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.
I may understand your problem better if I could run the files & see the outputs.
- 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.
if u look at the kpt list, it wont look 'uniform'. lots of k-points would have been removed due to symmetry.