Topic: vasp-calculations Goto Github
Some thing interesting about vasp-calculations
Some thing interesting about vasp-calculations
vasp-calculations,calculate madelung potential from VASP CONTCAR file
User: asif-iqbal-bhatti
vasp-calculations,Data analysis for DFT calculations of intercalation into (F/OH)-TiO2
User: bjmorgan
vasp-calculations,Toolkit for analyzing the output files and generating the input files for VASP density functional theory simulations.
User: cameronmcelfresh
vasp-calculations,scripts for simplifiing the usual work with results of VASP calculations
User: cloud-off
vasp-calculations,Fortran code that convert xyz-file to POSCAR file for VASP calculation
User: ctm-itodys
vasp-calculations,Code for calculating elastic modulus with VASP
User: danil-phy-cmp-120
vasp-calculations,Post-processing tool-set for ab-intio calculations using VASP.
User: dannyvanpoucke
vasp-calculations,A simple walkthrough and template for NEB runs on VASP.
User: drinwater
vasp-calculations,An offline crystal library, which includes about tens of thousand structure calculated by VASP.
User: jingslaw
vasp-calculations,Some VASP processing and convergence-testing shell scripts.
User: kavanase
vasp-calculations,Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
Organization: kumagai-group
Home Page: https://kumagai-group.github.io/pydefect/
vasp-calculations,VASP Integrated Supporting Environment
Organization: kumagai-group
Home Page: https://kumagai-group.github.io/vise/
vasp-calculations,A web app to help create POSCAR and INCAR files for VASP
User: manassharma07
Home Page: https://vasp-gui.streamlit.app/
vasp-calculations,Finite differences toolbox to compute the magneto-electric tensor
User: maxmarkov
vasp-calculations,Calculate determined track direction of s, p or d (include atoms without spin ) band centers from VASP DOSCAR files using python 3.Bug fixed of d-band-center.py ref 'https://github.com/hitarth64/d-band-center'
User: memgyuan-li
vasp-calculations,This repository contains the structure of various Lithium polysulfides molecules. The structures are provided in CIF, XSF, POSCAR-(VASP), and Quantum Espresso input formats for compatibility with different computational chemistry and materials science packages
User: nabkh
Home Page: https://sustai-nabil.com/
vasp-calculations,The optical properties of 2D materials with the VASP code
User: nabkh
vasp-calculations,
User: nick12-hub
vasp-calculations,
User: nick12-hub
vasp-calculations,
User: nick12-hub
vasp-calculations,Codes for automating standard VASP and VASP-related calculations.
User: sreeharshab
vasp-calculations,VASP structure relaxations bash and gnuplot scripts.
User: sufyanshk
vasp-calculations,Utility scripts and programs for VASP calculations
User: trebonius91
vasp-calculations,Efficiently calculate Raman spectra from first principles calculations.
User: wolearyc
Home Page: https://ramannoodle.readthedocs.io
vasp-calculations,A compressive-shear biaxial stress field model for analyzing the anisotropic mechanical behavior of crystal (Developed based on Python).
User: zmjt-cn
Home Page: https://doi.org/10.1016/j.diamond.2023.110353
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