| Re: charge,spin (current densities) ( No.1 )|
- Date: 2016/12/26 21:55
- Name: Mitsuaki Kawamura <email@example.com>
- Dear Pavan
Thank you for using the current-density part of OpenMX !
If you display *.curden1.cube or *.scurden1.cube by VESTA with the default setting,
the yellow object indicates the positive isosurface of the charge-/spin- current density along the conducting direction (a-axis), and the cyan object indicates the negative isosurface of them.
*.curden.xsf and *.scurden.xsf contain a vector field data of the current density; they can be read from XCrysDen program.
The charge- and the spin- current density are defined as J_up + J_down and J_up - J_down respectively.
Therefore, you can distinguish the spin up and spin down current-densities as follows:
1, Open *.curden1.cube from VESTA.
2, Enter "Edit" -> "Edit Data" -> "Volumetic Data"
3, Push "Import" in the "Isosurface" section.
4, Choose *.scurden.cube
5, Check "Subtract from current data" operation for spin-up component. For spin down, check "Add to current data".