mukkelian/DOS-integration

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GNU General Publi...
Created over 3 years ago
Updated almost 3 years ago

mukkelian/DOS-integration

mukkelian

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This code can be used to integrate the Density of states (DOS) by simply using Simpson's rule for integration

Ether

Based on the classical lattice model (Heisenberg, XY, XYZ, etc.), code Ether has been developed to study the thermodynamics of ANY CRYSTAL SYSTEM by performing the basic Monte Carlo methods. Metropolis algorithm has been used to equate all the observables

VASP-DOS-plots

This code is to plot the projected density of states (Spin pol. + SO) from the VASP output file. It requires only POSCAR, DOSCAR files.

Shifter

If you want to shift the whole lattice system into any direction or want to put the complex molecule into the defined crystal box without distorting the system ( defined in terms of lattice parameters a,b,c) for any Density Functional theory (DFT) calculation or want to make slab by providing defined vacuum then this will be very useful. This program can read the input file named as 'a.xyz' and give the output file named as 'b.xyz'. Just follow the instructions given on the screen.