tranci

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

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

See All Activity >

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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