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I was trying to do two nanotubes, one in the other, in magnetic field. However, when I try to do tbtrans calculations, I get an error: Erroneous electrode setup, check out-put. My code:
```python
im…
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I was trying to do two nanotubes, one in the other, in magnetic field. However, when I try to do tbtrans calculations, I get an error: Erroneous electrode setup, check out-put. My code:
import math
…
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cannot add imaginary part to dH-type hamiltonian when Hamiltonian object is spin-polarised. It works with is the Hamiltonian object the CAP is put into is not spin-polarised.
Additional snippet in …
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**Siesta-Max-1.2.0 & sisl v0.10.0**
We try to use the following codes to output the spectral function of the expanded molecule, but we are not sure whether this matrix is the spectral function (i.e.…
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I want to extract the COOP curves from the siesta.TBT.nc.
I try to use the command sdata to achieve this goal.
sdata siesta.TBT.nc --atom 46 --atom_coop Left --out coop.dat
But it failed. Co…
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Hi Nick,
I got a tutorial on calculating the bond-current from your answer [here](https://answers.launchpad.net/siesta/+question/638451).
And I tried to draw the bonding current of graphene. But t…
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I am facing issues while writing or printing extracted orbital_current or bond_current arrays to a file or to the screen.
1. The orbital_current/bond_current array is extracted from --.TBT.nc file an…
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I had the following happen to me:
```python
In [1]: import sisl as si
In [2]: tbt=si.get_sile("siesta.TBT.SE.nc")
In [3]: l2s=si.utils.list2str
In [4]: l2s(tbt.geom.o2a(tbt.pivot(0), uniq…
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I encountered some unexpected behaviour trying to write a simple Hamiltonian to netcdf, say with this simple script:
```python
import sisl
g = sisl.geom.graphene()
H = sisl.Hamiltonian(g)
#H[0, 0…
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It would be nice to calculate LDOS contribution on real-space grids