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inzerothi/sisl (press backspace or delete to remove)Describe the feature Some articles of interest:
- https://doi.org/10.1103/PhysRevB.102.085113
- https://doi.org/10.1002/pssb.2220700213 (Streda and Smrcka)
zerothi
- Opened 20 days ago
- #931
Freshly installed siesta from anaconda, in the post processing step reading the fdf (or HSX) file I get the following
error message:
%pylab inline
import sisl as si
dat= si.get_sile( ./relax_nosoc/WSe.fdf ...
novidad21
- 2
- Opened on Jun 4
- #928
Describe the feature
Change default TRS for monkhorst-pack with spin configurations polarized.
- Opened on Jun 3
- #926
Dear developers, I haven t check properly this, but from tile option it seems to me that it s possible to replicate the
system s periodicity in any of the three directions given by the lattice vectors, ...
apezol
- 1
- Opened on May 28
- #925
Describe the bug
Code to reproduce problem
DM = ...
DM2 = DM.spin_rotate([0, 0, 10]).spin_rotate([0, 0, -10])
Does not yield the same matrix again.
- Opened on May 28
- #924
Describe the bug
Code to reproduce problem
DM = DM.transform(spin= nc )
check(DM - DM.transpose(conjugate=True))
- Opened on May 28
- #923
Describe the bug
One cannot do Hamiltonian spin_rotate, which could be useful.
- Opened on May 14
- #920
Describe the bug The stdoutSileSiesta does not properly read the spin-moment stuff. It adds it just after having found a
scf: key, instead, it should add when a data-point when a key is recurring.
- Opened on May 14
- #918
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