New version, MStudio MINDLab 7, is now available!
It includes a DMFTLab library which solves impurity problem
using dynamical mean field theory, BandLab library which performs
electronic structure calculations as well as MScene library
which gives full 2D and 3D graphical support including vector fields visualization
velocity fields on top of the Fermi surface
and 3D magnetizations.
A set of properties which can be computed directly within MINDLab
and further visualized by it includes:
(i) Crystal Group calculations: by setting the atomic positions the MINDLab shows crystal group operations found for given configuration.
(ii) Fat bands: fully colored visualization of separated orbital characters on top of band structures. Examples can be found in the DataBase/Solids section.
(iii) Density of States: MINDLab computes and visualizes densities of states , total and orbital resoved.
(iv) Hoppings: computations of Hopping integrals for tight-binding fits (either those which are desired or all possible) can be done directly within MINDLab.
(v) Optical properties (e1, e2, and electron energy loss spectra)
(vi) 2D visualizations of charge density and full potential.
(vii) Version 2 or later. Full 3D countor plots and 3D visualisations of the charge density, full potential, Fermi surfaces (compatibility of 3D graphic accelerators with OpenGL is required to use these options)
(viii) Version 2 or later. Crystal structure visualizer. (compatibility of 3D graphic accelerators with OpenGL is required to use these options)
(ix) Version 3 or later. Full 3D support of vector fields visualization including velocity fields on top of the Fermi surface and 3D magnetizations.
Added features include
Version 2 or later. Complete support of the LDA+U method for correlated electronic systems.
Version 3, 4 or later. Extended input and many more options for custom runs.
Several bugs have been also fixed with the present version.
Version 5 or later includes DMFTLab which solves impurity model using dynamical mean-field theory for strongly correlated systems.
Version 7 works with LmtART 7 code
A set of properties coming with the following versions of the MINDLab
(a) Dynamical susceptibility, chi(q,omega), calculations for desired wave vectors q and omega.
(b) Free atom solver.