Here are
23 public repositories
matching this topic...
Updated
Apr 16, 2024
Python
scripts for simplifiing the usual work with results of VASP calculations
Updated
Jun 5, 2023
Python
Finite differences toolbox to compute the magneto-electric tensor
Updated
Jan 16, 2022
Python
Fortran code that convert xyz-file to POSCAR file for VASP calculation
Updated
Dec 24, 2022
Fortran
Code for calculating elastic modulus with VASP
Updated
Dec 22, 2020
Python
Data analysis for DFT calculations of intercalation into (F/OH)-TiO2
Updated
Apr 11, 2018
Jupyter Notebook
Toolkit for analyzing the output files and generating the input files for VASP density functional theory simulations.
Updated
Dec 20, 2021
Python
The optical properties of 2D materials with the VASP code
Some VASP processing and convergence-testing shell scripts.
Updated
Oct 4, 2021
Jupyter Notebook
A compressive-shear biaxial stress field model for analyzing the anisotropic mechanical behavior of crystal (Developed based on Python).
Updated
Apr 23, 2024
Python
Post-processing tool-set for ab-intio calculations using VASP.
VASP structure relaxations bash and gnuplot scripts.
Updated
Feb 1, 2023
Shell
Utility scripts and programs for VASP calculations
Updated
May 27, 2024
Fortran
An offline crystal library, which includes about tens of thousand structure calculated by VASP.
Updated
Sep 27, 2021
Python
calculate madelung potential from VASP CONTCAR file
Updated
Mar 13, 2024
Python
Codes for automating standard VASP and VASP-related calculations.
Updated
May 7, 2024
Python
A simple walkthrough and template for NEB runs on VASP.
Updated
Jan 28, 2022
Shell
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