Computational package to study transition metal atoms in surfaces, focusing on the effects of crystal field, spin orbit coupling and electronic interactions. Inputs are written in an user friendly interface, and creates a pdf and graphics with the results.

Features

  • Multielectronic calculations
  • Crystal field, spin orbit coupling and electronic interactions
  • Created pdf with the results of the calculation
  • Creates graphics with spectrum
  • Allows to sweep in all the parameters

Project Samples

Main interface of the tranci code Sweep in the SOC parameter for a 2 electron system Evolution of the expectation value of Jz for one electron in octahedral crystal field Example of pdf created for a one shot calculation, showing the spectrum, projection of operators on the GS and wavefunctions

Project Activity

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Categories

Physics

License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

Linux

Intended Audience

Education, Science/Research

User Interface

GTK+

Programming Language

C++, Python

Related Categories

Python Physics Software, C++ Physics Software

Registered

2016-01-04
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