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EQuUs v4.9.146 is a free software distributed under the GNU General Public License. EQuUs v4.9.146 is designed for transport calculations implementing the equilibrium Greens function formalism developed in:
- A. Cresti, G. Grosso and G. Pastori Parravicini, Eur. Phys. J. B 53, 537-549 (2006).
- S. Sanvito, C.~J. Lambert, J.~H. Jefferson and A. M. Bratkovsky, Phys. Rev. B 59, 11936 (1999).
- I. Rungger and S. Sanvito, Phys. Rev. B 78, 035407 (2008).
- P. Rakyta, E. Tóvári, M. Csontos, Sz. Csonka, A. Csordás, J. Cserti, Phys. Rev. B 90, 125428 (2014).
- P. Rakyta, A. Kormányos, J. Cserti, Phys. Rev. B 93, 224510 (2016).
EQuUs v4.9.146 comes with the following functionalities:
- Spin and charge transport in normal/superconducting systems
- Multi-terminal structures
- Automatically generated predefined lattice structures
- Inclusion of overlap matrices.
- SVD regularization of the leads.
- Interface for the SIESTA package
- Inclusion of custom Hamiltonians (molecular structures)
- Automatic transformation to the Bogoliubov-de Gennes model
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- Efficient numerical components for large-scaled non-trivial structures using EQuUs MKL component
- Automatic magnetic field and gauge transformation
- DC Josephson current
- DC Josephson current in multi-terminal structures
- Self-consistent framework for electron density based functionals. (self-consistent charge distribution, electron-electron interaction, s-type pair potential)
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- Transverse momentum resolved computations.
- Computing the energy and the wave function of the eigenstates.
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Download and Install EQuUs v4.9.146
To download and to install stable packages of EQuUs v4.9.146.x follow instructions at Installation Guide