Skip to content

Add VASP Input Generator and QE Input Generator#68

Open
ShahiDDU wants to merge 1 commit into
tilde-lab:masterfrom
ShahiDDU:add-vasp-qe-input-generators
Open

Add VASP Input Generator and QE Input Generator#68
ShahiDDU wants to merge 1 commit into
tilde-lab:masterfrom
ShahiDDU:add-vasp-qe-input-generators

Conversation

@ShahiDDU

Copy link
Copy Markdown

New tools

Adding two free, open-source web GUIs for generating DFT input files:

VASP Input Generator

  • Web-based wizard for generating VASP input files (INCAR, POSCAR, KPOINTS, POTCAR)
  • Supports: SCF, ionic/full relaxation, band structure, DOS, HSE06, DFT+U, SOC, MD, mBJ, R2SCAN
  • Deployable on Streamlit Community Cloud (free hosting)
  • Built with Python + Streamlit

QE Input Generator

  • Web-based wizard for generating Quantum ESPRESSO pw.x input files
  • Supports: scf, nscf, bands, relax, vc-relax, md, vc-md
  • Pseudopotential upload from user's computer, manual k-point editor, ZIP/tar.gz download
  • Built with Python + Streamlit

Both tools are free, open-source, and require no installation for end users.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant