gekavic Goto Github PK
Type: User
gekavic's Projects
brave
Bloch Representation Analysis and Visualization Environment
coding-interview-university
A complete computer science study plan to become a software engineer.
crystalfeatures_tutorial
dft_tutorial
direct-indirect-model
fpte
The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not limited to stress-strain method for getting second order elastic tensors using DFT package VASP as well as, ab initio molecular dynamic method for temperature dependent elastic constatns.
hybrid-perovskites
DFT optimised crystal structures of inorganic and hybrid halide perovskites
matscibert
Material Science Aware Language Model
p4vasp
p4vasp, the VASP Visualization Tool
pslibrary
A library of ultrasoft and PAW pseudopotentials
py4dstem
py4vasp
Python interface for VASP
pydef-2.0
PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulation Package (VASP) featuring a user-friendly Graphical User Interface (GUI).
siesta
FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version
sumo
Heavyweight plotting tools for ab initio calculations
vasp_tutorial
vaspbandunfolding
a python class for dealing with VASP WAVECAR.
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