vasp - inconsistent behavior between band structure and density of states - Matter Modeling Stack Exchange
Quantum Espresso vs VASP (round 2) - Peter Larsson
Quantum chemical accuracy from density functional approximations via machine learning | Nature Communications
iEntropy - Space Apps Challenge | 2021
Quantum Espresso vs VASP (round 1) - Peter Larsson
Ab initio theory and modeling of water | PNAS
Quantum ESPRESSO KNL Case Study - NERSC Documentation
Background on our Calculations | Center for Interface Science and Catalysis
Quantum Espresso vs VASP (round 2) - Peter Larsson
Peter Larsson
Common workflows for computing material properties using different quantum engines | npj Computational Materials
Why the band gap result of my DFT (using Quantum Espresso) calculation different with the band gap of the literature data? | ResearchGate
Quantum ESPRESSO: Magnetism, Band Structure and pDOS — Tutorials 2022.1 documentation
Quantum Espresso & Fermi Surfaces
GitHub - TRIQS/solid_dmft: solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
Training Sets — dftfit 0.3.2 documentation
Which degauss value should I use for QUANTUM ESPRESSO input file? | ResearchGate
Why there is Phonon spectrum difference in Phonopy and Quantum Espresso? | ResearchGate
Authorship and citation cultural nature in Density Functional Theory from solid state computational packages | SpringerLink
Quantum Espresso vs VASP (round 3) - Peter Larsson
PASTA: Python Algorithms for Searching Transition stAtes – arXiv Vanity
GitHub - rpadhikari/sqs2QE_VASP: Converts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format.
CP2K: Past, Present, Future
unphysical ELF for NdNiO2 - My Community
Quantum Espresso vs VASP (round 3) - Peter Larsson
Why Siesta gives a shift of the Fermi level in half-metalic DOS in comparison with VASP and Quantum Espresso? | ResearchGate
