f-fathurrahman / ffr-PWDFTLinks
A poor man's density functional theory program
☆14Updated last month
Alternatives and similar repositories for ffr-PWDFT
Users that are interested in ffr-PWDFT are comparing it to the libraries listed below
Sorting:
- D3Q + thermal2☆26Updated last month
- Library for local orbital scaling correction (LOSC).☆17Updated last year
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆23Updated last month
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆14Updated last week
- Python modules for electron–phonon models☆37Updated last month
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- Pythonic electronic structure theory.☆21Updated 2 weeks ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- SPMS table of pseudopotentials☆21Updated 2 years ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- DFT simulation of He atom☆13Updated 4 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆67Updated last week
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago
- Interface to DFT codes. Supported by the Flatiron Institute.☆42Updated last week
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Reference implementation of GW☆13Updated 6 years ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Pseudopotential Studio☆20Updated 4 years ago
- ☆29Updated last year
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated 2 weeks ago
- WEST code☆30Updated 4 months ago
- ☆21Updated last week