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JaSS code is the package of python scripts aimed to make Heisenberg exchange parameters and, moreover, magnetic susceptibility calculations more easier. The workflow can include several types of DFT codes and methods to obtain exchange parameters.

 

Features

Everyone knows that each DFT code and each method has its own positive and negative sides. Due to our code you can combine the most suitable set to solve a task exactly for your system. In the current version of JaSS code you can choose between:

 

Code

Method

Solver

VASP

TB-LMTO-ASA

Wien2k

Total energies

Pairs

Green's function

Luttinger-Tizsa

Classical Monte-Carlo

Quantum Monte-Carlo

Exact diagonalization

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